# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/2c2d1cf0-29d2-42fd-87d8-149744d0ef79/download) ## Creator [Atsushi Togo](https://orcid.org/0000-0001-8393-9766) ## Rights Creative Commons Attribution 4.0 International[Creative Commons BY Attribution 4.0 International](https://creativecommons.org/licenses/by/4.0/) ## Other metadata [Ab-initio phonon calculation for K2TeBr6 / P4/mnc (128) / materials id 23411](https://mdr.nims.go.jp/datasets/2528b9fd-e699-4355-b172-9a9e1fda857c) ## Fulltext phonopy: version: 2.17.1 frequency_unit_conversion_factor: 15.633302 symmetry_tolerance: 1.00000e-05 nac_unit_conversion_factor: 14.399652 configuration: save_params: ".true."physical_unit: atomic_mass: "AMU" length: "angstrom" force_constants: "eV/angstrom^2"space_group: type: "P4/mnc" number: 128 Hall_symbol: "-P 4 2n"supercell_matrix:- [ 2, 0, 0 ]- [ 0, 2, 0 ]- [ 0, 0, 2 ]primitive_cell: lattice: - [ 7.352064270000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 7.352064270000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 11.054804080000000 ] # c points: - symbol: K # 1 coordinates: [ 0.000000000000000, 0.500000000000000, 0.250000000000000 ] mass: 39.098300 - symbol: K # 2 coordinates: [ 0.500000000000000, 0.000000000000000, 0.750000000000000 ] mass: 39.098300 - symbol: K # 3 coordinates: [ 0.000000000000000, 0.500000000000000, 0.750000000000000 ] mass: 39.098300 - symbol: K # 4 coordinates: [ 0.500000000000000, 0.000000000000000, 0.250000000000000 ] mass: 39.098300 - symbol: Br # 5 coordinates: [ 0.190115790000000, 0.301439310000000, 0.500000000000000 ] mass: 79.904000 - symbol: Br # 6 coordinates: [ 0.809884210000000, 0.698560690000000, 0.500000000000000 ] mass: 79.904000 - symbol: Br # 7 coordinates: [ 0.000000000000000, 0.000000000000000, 0.245306090000000 ] mass: 79.904000 - symbol: Br # 8 coordinates: [ 0.500000000000000, 0.500000000000000, 0.254693910000000 ] mass: 79.904000 - symbol: Br # 9 coordinates: [ 0.000000000000000, 0.000000000000000, 0.754693910000000 ] mass: 79.904000 - symbol: Br # 10 coordinates: [ 0.500000000000000, 0.500000000000000, 0.745306090000000 ] mass: 79.904000 - symbol: Br # 11 coordinates: [ 0.198560690000000, 0.309884210000000, 0.000000000000000 ] mass: 79.904000 - symbol: Br # 12 coordinates: [ 0.690115790000000, 0.198560690000000, 0.000000000000000 ] mass: 79.904000 - symbol: Br # 13 coordinates: [ 0.309884210000000, 0.801439310000000, 0.000000000000000 ] mass: 79.904000 - symbol: Br # 14 coordinates: [ 0.698560690000000, 0.190115790000000, 0.500000000000000 ] mass: 79.904000 - symbol: Br # 15 coordinates: [ 0.301439310000000, 0.809884210000000, 0.500000000000000 ] mass: 79.904000 - symbol: Br # 16 coordinates: [ 0.801439310000000, 0.690115790000000, 0.000000000000000 ] mass: 79.904000 - symbol: Te # 17 coordinates: [ 0.500000000000000, 0.500000000000000, 0.500000000000000 ] mass: 127.600000 - symbol: Te # 18 coordinates: [ 0.000000000000000, 0.000000000000000, 0.000000000000000 ] mass: 127.600000 reciprocal_lattice: # without 2pi - [ 0.136016221196608, 0.000000000000000, 0.000000000000000 ] # a* - [ 0.000000000000000, 0.136016221196608, 0.000000000000000 ] # b* - [ 0.000000000000000, 0.000000000000000, 0.090458410005580 ] # c*unit_cell: lattice: - [ 7.352064270000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 7.352064270000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 11.054804080000000 ] # c points: - symbol: K # 1 coordinates: [ 0.000000000000000, 0.500000000000000, 0.250000000000000 ] mass: 39.098300 reduced_to: 1 - symbol: K # 2 coordinates: [ 0.500000000000000, 0.000000000000000, 0.750000000000000 ] mass: 39.098300 reduced_to: 2 - symbol: K # 3 coordinates: [ 0.000000000000000, 0.500000000000000, 0.750000000000000 ] mass: 39.098300 reduced_to: 3 - symbol: K # 4 coordinates: [ 0.500000000000000, 0.000000000000000, 0.250000000000000 ] mass: 39.098300 reduced_to: 4 - symbol: Br # 5 coordinates: [ 0.190115790000000, 0.301439310000000, 0.500000000000000 ] mass: 79.904000 reduced_to: 5 - symbol: Br # 6 coordinates: [ 0.809884210000000, 0.698560690000000, 0.500000000000000 ] mass: 79.904000 reduced_to: 6 - symbol: Br # 7 coordinates: [ 0.000000000000000, 0.000000000000000, 0.245306090000000 ] mass: 79.904000 reduced_to: 7 - symbol: Br # 8 coordinates: [ 0.500000000000000, 0.500000000000000, 0.254693910000000 ] mass: 79.904000 reduced_to: 8 - symbol: Br # 9 coordinates: [ 0.000000000000000, 0.000000000000000, 0.754693910000000 ] mass: 79.904000 reduced_to: 9 - symbol: Br # 10 coordinates: [ 0.500000000000000, 0.500000000000000, 0.745306090000000 ] mass: 79.904000 reduced_to: 10 - symbol: Br # 11 coordinates: [ 0.198560690000000, 0.309884210000000, 0.000000000000000 ] mass: 79.904000 reduced_to: 11 - symbol: Br # 12 coordinates: [ 0.690115790000000, 0.198560690000000, 0.000000000000000 ] mass: 79.904000 reduced_to: 12 - symbol: Br # 13 coordinates: [ 0.309884210000000, 0.801439310000000, 0.000000000000000 ] mass: 79.904000 reduced_to: 13 - symbol: Br # 14 coordinates: [ 0.698560690000000, 0.190115790000000, 0.500000000000000 ] mass: 79.904000 reduced_to: 14 - symbol: Br # 15 coordinates: [ 0.301439310000000, 0.809884210000000, 0.500000000000000 ] mass: 79.904000 reduced_to: 15 - symbol: Br # 16 coordinates: [ 0.801439310000000, 0.690115790000000, 0.000000000000000 ] mass: 79.904000 reduced_to: 16 - symbol: Te # 17 coordinates: [ 0.500000000000000, 0.500000000000000, 0.500000000000000 ] mass: 127.600000 reduced_to: 17 - symbol: Te # 18 coordinates: [ 0.000000000000000, 0.000000000000000, 0.000000000000000 ] mass: 127.600000 reduced_to: 18supercell: lattice: - [ 14.704128539999999, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 14.704128539999999, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 22.109608160000001 ] # c points: - symbol: K # 1 coordinates: [ 0.000000000000000, 0.250000000000000, 0.125000000000000 ] mass: 39.098300 reduced_to: 1 - symbol: K # 2 coordinates: [ 0.500000000000000, 0.250000000000000, 0.125000000000000 ] mass: 39.098300 reduced_to: 1 - symbol: K # 3 coordinates: [ 0.000000000000000, 0.750000000000000, 0.125000000000000 ] mass: 39.098300 reduced_to: 1 - symbol: K # 4 coordinates: [ 0.500000000000000, 0.750000000000000, 0.125000000000000 ] mass: 39.098300 reduced_to: 1 - symbol: K # 5 coordinates: [ 0.000000000000000, 0.250000000000000, 0.625000000000000 ] mass: 39.098300 reduced_to: 1 - symbol: K # 6 coordinates: [ 0.500000000000000, 0.250000000000000, 0.625000000000000 ] mass: 39.098300 reduced_to: 1 - symbol: K # 7 coordinates: [ 0.000000000000000, 0.750000000000000, 0.625000000000000 ] mass: 39.098300 reduced_to: 1 - symbol: K # 8 coordinates: [ 0.500000000000000, 0.750000000000000, 0.625000000000000 ] mass: 39.098300 reduced_to: 1 - symbol: K # 9 coordinates: [ 0.250000000000000, 0.000000000000000, 0.375000000000000 ] mass: 39.098300 reduced_to: 9 - symbol: K # 10 coordinates: [ 0.750000000000000, 0.000000000000000, 0.375000000000000 ] mass: 39.098300 reduced_to: 9 - symbol: K # 11 coordinates: [ 0.250000000000000, 0.500000000000000, 0.375000000000000 ] mass: 39.098300 reduced_to: 9 - symbol: K # 12 coordinates: [ 0.750000000000000, 0.500000000000000, 0.375000000000000 ] mass: 39.098300 reduced_to: 9 - symbol: K # 13 coordinates: [ 0.250000000000000, 0.000000000000000, 0.875000000000000 ] mass: 39.098300 reduced_to: 9 - symbol: K # 14 coordinates: [ 0.750000000000000, 0.000000000000000, 0.875000000000000 ] mass: 39.098300 reduced_to: 9 - symbol: K # 15 coordinates: [ 0.250000000000000, 0.500000000000000, 0.875000000000000 ] mass: 39.098300 reduced_to: 9 - symbol: K # 16 coordinates: [ 0.750000000000000, 0.500000000000000, 0.875000000000000 ] mass: 39.098300 reduced_to: 9 - symbol: K # 17 coordinates: [ 0.000000000000000, 0.250000000000000, 0.375000000000000 ] mass: 39.098300 reduced_to: 17 - symbol: K # 18 coordinates: [ 0.500000000000000, 0.250000000000000, 0.375000000000000 ] mass: 39.098300 reduced_to: 17 - symbol: K # 19 coordinates: [ 0.000000000000000, 0.750000000000000, 0.375000000000000 ] mass: 39.098300 reduced_to: 17 - symbol: K # 20 coordinates: [ 0.500000000000000, 0.750000000000000, 0.375000000000000 ] mass: 39.098300 reduced_to: 17 - symbol: K # 21 coordinates: [ 0.000000000000000, 0.250000000000000, 0.875000000000000 ] mass: 39.098300 reduced_to: 17 - symbol: K # 22 coordinates: [ 0.500000000000000, 0.250000000000000, 0.875000000000000 ] mass: 39.098300 reduced_to: 17 - symbol: K # 23 coordinates: [ 0.000000000000000, 0.750000000000000, 0.875000000000000 ] mass: 39.098300 reduced_to: 17 - symbol: K # 24 coordinates: [ 0.500000000000000, 0.750000000000000, 0.875000000000000 ] mass: 39.098300 reduced_to: 17 - symbol: K # 25 coordinates: [ 0.250000000000000, 0.000000000000000, 0.125000000000000 ] mass: 39.098300 reduced_to: 25 - symbol: K # 26 coordinates: [ 0.750000000000000, 0.000000000000000, 0.125000000000000 ] mass: 39.098300 reduced_to: 25 - symbol: K # 27 coordinates: [ 0.250000000000000, 0.500000000000000, 0.125000000000000 ] mass: 39.098300 reduced_to: 25 - symbol: K # 28 coordinates: [ 0.750000000000000, 0.500000000000000, 0.125000000000000 ] mass: 39.098300 reduced_to: 25 - symbol: K # 29 coordinates: [ 0.250000000000000, 0.000000000000000, 0.625000000000000 ] mass: 39.098300 reduced_to: 25 - symbol: K # 30 coordinates: [ 0.750000000000000, 0.000000000000000, 0.625000000000000 ] mass: 39.098300 reduced_to: 25 - symbol: K # 31 coordinates: [ 0.250000000000000, 0.500000000000000, 0.625000000000000 ] mass: 39.098300 reduced_to: 25 - symbol: K # 32 coordinates: [ 0.750000000000000, 0.500000000000000, 0.625000000000000 ] mass: 39.098300 reduced_to: 25 - symbol: Br # 33 coordinates: [ 0.095057895000000, 0.150719655000000, 0.250000000000000 ] mass: 79.904000 reduced_to: 33 - symbol: Br # 34 coordinates: [ 0.595057895000000, 0.150719655000000, 0.250000000000000 ] mass: 79.904000 reduced_to: 33 - symbol: Br # 35 coordinates: [ 0.095057895000000, 0.650719655000000, 0.250000000000000 ] mass: 79.904000 reduced_to: 33 - symbol: Br # 36 coordinates: [ 0.595057895000000, 0.650719655000000, 0.250000000000000 ] mass: 79.904000 reduced_to: 33 - symbol: Br # 37 coordinates: [ 0.095057895000000, 0.150719655000000, 0.750000000000000 ] mass: 79.904000 reduced_to: 33 - symbol: Br # 38 coordinates: [ 0.595057895000000, 0.150719655000000, 0.750000000000000 ] mass: 79.904000 reduced_to: 33 - symbol: Br # 39 coordinates: [ 0.095057895000000, 0.650719655000000, 0.750000000000000 ] mass: 79.904000 reduced_to: 33 - symbol: Br # 40 coordinates: [ 0.595057895000000, 0.650719655000000, 0.750000000000000 ] mass: 79.904000 reduced_to: 33 - symbol: Br # 41 coordinates: [ 0.404942105000000, 0.349280345000000, 0.250000000000000 ] mass: 79.904000 reduced_to: 41 - symbol: Br # 42 coordinates: [ 0.904942105000000, 0.349280345000000, 0.250000000000000 ] mass: 79.904000 reduced_to: 41 - symbol: Br # 43 coordinates: [ 0.404942105000000, 0.849280345000000, 0.250000000000000 ] mass: 79.904000 reduced_to: 41 - symbol: Br # 44 coordinates: [ 0.904942105000000, 0.849280345000000, 0.250000000000000 ] mass: 79.904000 reduced_to: 41 - symbol: Br # 45 coordinates: [ 0.404942105000000, 0.349280345000000, 0.750000000000000 ] mass: 79.904000 reduced_to: 41 - symbol: Br # 46 coordinates: [ 0.904942105000000, 0.349280345000000, 0.750000000000000 ] mass: 79.904000 reduced_to: 41 - symbol: Br # 47 coordinates: [ 0.404942105000000, 0.849280345000000, 0.750000000000000 ] mass: 79.904000 reduced_to: 41 - symbol: Br # 48 coordinates: [ 0.904942105000000, 0.849280345000000, 0.750000000000000 ] mass: 79.904000 reduced_to: 41 - symbol: Br # 49 coordinates: [ 0.000000000000000, 0.000000000000000, 0.122653045000000 ] mass: 79.904000 reduced_to: 49 - symbol: Br # 50 coordinates: [ 0.500000000000000, 0.000000000000000, 0.122653045000000 ] mass: 79.904000 reduced_to: 49 - symbol: Br # 51 coordinates: [ 0.000000000000000, 0.500000000000000, 0.122653045000000 ] mass: 79.904000 reduced_to: 49 - symbol: Br # 52 coordinates: [ 0.500000000000000, 0.500000000000000, 0.122653045000000 ] mass: 79.904000 reduced_to: 49 - symbol: Br # 53 coordinates: [ 0.000000000000000, 0.000000000000000, 0.622653045000000 ] mass: 79.904000 reduced_to: 49 - symbol: Br # 54 coordinates: [ 0.500000000000000, 0.000000000000000, 0.622653045000000 ] mass: 79.904000 reduced_to: 49 - symbol: Br # 55 coordinates: [ 0.000000000000000, 0.500000000000000, 0.622653045000000 ] mass: 79.904000 reduced_to: 49 - symbol: Br # 56 coordinates: [ 0.500000000000000, 0.500000000000000, 0.622653045000000 ] mass: 79.904000 reduced_to: 49 - symbol: Br # 57 coordinates: [ 0.250000000000000, 0.250000000000000, 0.127346955000000 ] mass: 79.904000 reduced_to: 57 - symbol: Br # 58 coordinates: [ 0.750000000000000, 0.250000000000000, 0.127346955000000 ] mass: 79.904000 reduced_to: 57 - symbol: Br # 59 coordinates: [ 0.250000000000000, 0.750000000000000, 0.127346955000000 ] mass: 79.904000 reduced_to: 57 - symbol: Br # 60 coordinates: [ 0.750000000000000, 0.750000000000000, 0.127346955000000 ] mass: 79.904000 reduced_to: 57 - symbol: Br # 61 coordinates: [ 0.250000000000000, 0.250000000000000, 0.627346955000000 ] mass: 79.904000 reduced_to: 57 - symbol: Br # 62 coordinates: [ 0.750000000000000, 0.250000000000000, 0.627346955000000 ] mass: 79.904000 reduced_to: 57 - symbol: Br # 63 coordinates: [ 0.250000000000000, 0.750000000000000, 0.627346955000000 ] mass: 79.904000 reduced_to: 57 - symbol: Br # 64 coordinates: [ 0.750000000000000, 0.750000000000000, 0.627346955000000 ] mass: 79.904000 reduced_to: 57 - symbol: Br # 65 coordinates: [ 0.000000000000000, 0.000000000000000, 0.377346955000000 ] mass: 79.904000 reduced_to: 65 - symbol: Br # 66 coordinates: [ 0.500000000000000, 0.000000000000000, 0.377346955000000 ] mass: 79.904000 reduced_to: 65 - symbol: Br # 67 coordinates: [ 0.000000000000000, 0.500000000000000, 0.377346955000000 ] mass: 79.904000 reduced_to: 65 - symbol: Br # 68 coordinates: [ 0.500000000000000, 0.500000000000000, 0.377346955000000 ] mass: 79.904000 reduced_to: 65 - symbol: Br # 69 coordinates: [ 0.000000000000000, 0.000000000000000, 0.877346955000000 ] mass: 79.904000 reduced_to: 65 - symbol: Br # 70 coordinates: [ 0.500000000000000, 0.000000000000000, 0.877346955000000 ] mass: 79.904000 reduced_to: 65 - symbol: Br # 71 coordinates: [ 0.000000000000000, 0.500000000000000, 0.877346955000000 ] mass: 79.904000 reduced_to: 65 - symbol: Br # 72 coordinates: [ 0.500000000000000, 0.500000000000000, 0.877346955000000 ] mass: 79.904000 reduced_to: 65 - symbol: Br # 73 coordinates: [ 0.250000000000000, 0.250000000000000, 0.372653045000000 ] mass: 79.904000 reduced_to: 73 - symbol: Br # 74 coordinates: [ 0.750000000000000, 0.250000000000000, 0.372653045000000 ] mass: 79.904000 reduced_to: 73 - symbol: Br # 75 coordinates: [ 0.250000000000000, 0.750000000000000, 0.372653045000000 ] mass: 79.904000 reduced_to: 73 - symbol: Br # 76 coordinates: [ 0.750000000000000, 0.750000000000000, 0.372653045000000 ] mass: 79.904000 reduced_to: 73 - symbol: Br # 77 coordinates: [ 0.250000000000000, 0.250000000000000, 0.872653045000000 ] mass: 79.904000 reduced_to: 73 - symbol: Br # 78 coordinates: [ 0.750000000000000, 0.250000000000000, 0.872653045000000 ] mass: 79.904000 reduced_to: 73 - symbol: Br # 79 coordinates: [ 0.250000000000000, 0.750000000000000, 0.872653045000000 ] mass: 79.904000 reduced_to: 73 - symbol: Br # 80 coordinates: [ 0.750000000000000, 0.750000000000000, 0.872653045000000 ] mass: 79.904000 reduced_to: 73 - symbol: Br # 81 coordinates: [ 0.099280345000000, 0.154942105000000, 0.000000000000000 ] mass: 79.904000 reduced_to: 81 - symbol: Br # 82 coordinates: [ 0.599280345000000, 0.154942105000000, 0.000000000000000 ] mass: 79.904000 reduced_to: 81 - symbol: Br # 83 coordinates: [ 0.099280345000000, 0.654942105000000, 0.000000000000000 ] mass: 79.904000 reduced_to: 81 - symbol: Br # 84 coordinates: [ 0.599280345000000, 0.654942105000000, 0.000000000000000 ] mass: 79.904000 reduced_to: 81 - symbol: Br # 85 coordinates: [ 0.099280345000000, 0.154942105000000, 0.500000000000000 ] mass: 79.904000 reduced_to: 81 - symbol: Br # 86 coordinates: [ 0.599280345000000, 0.154942105000000, 0.500000000000000 ] mass: 79.904000 reduced_to: 81 - symbol: Br # 87 coordinates: [ 0.099280345000000, 0.654942105000000, 0.500000000000000 ] mass: 79.904000 reduced_to: 81 - symbol: Br # 88 coordinates: [ 0.599280345000000, 0.654942105000000, 0.500000000000000 ] mass: 79.904000 reduced_to: 81 - symbol: Br # 89 coordinates: [ 0.345057895000000, 0.099280345000000, 0.000000000000000 ] mass: 79.904000 reduced_to: 89 - symbol: Br # 90 coordinates: [ 0.845057895000000, 0.099280345000000, 0.000000000000000 ] mass: 79.904000 reduced_to: 89 - symbol: Br # 91 coordinates: [ 0.345057895000000, 0.599280345000000, 0.000000000000000 ] mass: 79.904000 reduced_to: 89 - symbol: Br # 92 coordinates: [ 0.845057895000000, 0.599280345000000, 0.000000000000000 ] mass: 79.904000 reduced_to: 89 - symbol: Br # 93 coordinates: [ 0.345057895000000, 0.099280345000000, 0.500000000000000 ] mass: 79.904000 reduced_to: 89 - symbol: Br # 94 coordinates: [ 0.845057895000000, 0.099280345000000, 0.500000000000000 ] mass: 79.904000 reduced_to: 89 - symbol: Br # 95 coordinates: [ 0.345057895000000, 0.599280345000000, 0.500000000000000 ] mass: 79.904000 reduced_to: 89 - symbol: Br # 96 coordinates: [ 0.845057895000000, 0.599280345000000, 0.500000000000000 ] mass: 79.904000 reduced_to: 89 - symbol: Br # 97 coordinates: [ 0.154942105000000, 0.400719655000000, 0.000000000000000 ] mass: 79.904000 reduced_to: 97 - symbol: Br # 98 coordinates: [ 0.654942105000000, 0.400719655000000, 0.000000000000000 ] mass: 79.904000 reduced_to: 97 - symbol: Br # 99 coordinates: [ 0.154942105000000, 0.900719655000000, 0.000000000000000 ] mass: 79.904000 reduced_to: 97 - symbol: Br # 100 coordinates: [ 0.654942105000000, 0.900719655000000, 0.000000000000000 ] mass: 79.904000 reduced_to: 97 - symbol: Br # 101 coordinates: [ 0.154942105000000, 0.400719655000000, 0.500000000000000 ] mass: 79.904000 reduced_to: 97 - symbol: Br # 102 coordinates: [ 0.654942105000000, 0.400719655000000, 0.500000000000000 ] mass: 79.904000 reduced_to: 97 - symbol: Br # 103 coordinates: [ 0.154942105000000, 0.900719655000000, 0.500000000000000 ] mass: 79.904000 reduced_to: 97 - symbol: Br # 104 coordinates: [ 0.654942105000000, 0.900719655000000, 0.500000000000000 ] mass: 79.904000 reduced_to: 97 - symbol: Br # 105 coordinates: [ 0.349280345000000, 0.095057895000000, 0.250000000000000 ] mass: 79.904000 reduced_to: 105 - symbol: Br # 106 coordinates: [ 0.849280345000000, 0.095057895000000, 0.250000000000000 ] mass: 79.904000 reduced_to: 105 - symbol: Br # 107 coordinates: [ 0.349280345000000, 0.595057895000000, 0.250000000000000 ] mass: 79.904000 reduced_to: 105 - symbol: Br # 108 coordinates: [ 0.849280345000000, 0.595057895000000, 0.250000000000000 ] mass: 79.904000 reduced_to: 105 - symbol: Br # 109 coordinates: [ 0.349280345000000, 0.095057895000000, 0.750000000000000 ] mass: 79.904000 reduced_to: 105 - symbol: Br # 110 coordinates: [ 0.849280345000000, 0.095057895000000, 0.750000000000000 ] mass: 79.904000 reduced_to: 105 - symbol: Br # 111 coordinates: [ 0.349280345000000, 0.595057895000000, 0.750000000000000 ] mass: 79.904000 reduced_to: 105 - symbol: Br # 112 coordinates: [ 0.849280345000000, 0.595057895000000, 0.750000000000000 ] mass: 79.904000 reduced_to: 105 - symbol: Br # 113 coordinates: [ 0.150719655000000, 0.404942105000000, 0.250000000000000 ] mass: 79.904000 reduced_to: 113 - symbol: Br # 114 coordinates: [ 0.650719655000000, 0.404942105000000, 0.250000000000000 ] mass: 79.904000 reduced_to: 113 - symbol: Br # 115 coordinates: [ 0.150719655000000, 0.904942105000000, 0.250000000000000 ] mass: 79.904000 reduced_to: 113 - symbol: Br # 116 coordinates: [ 0.650719655000000, 0.904942105000000, 0.250000000000000 ] mass: 79.904000 reduced_to: 113 - symbol: Br # 117 coordinates: [ 0.150719655000000, 0.404942105000000, 0.750000000000000 ] mass: 79.904000 reduced_to: 113 - symbol: Br # 118 coordinates: [ 0.650719655000000, 0.404942105000000, 0.750000000000000 ] mass: 79.904000 reduced_to: 113 - symbol: Br # 119 coordinates: [ 0.150719655000000, 0.904942105000000, 0.750000000000000 ] mass: 79.904000 reduced_to: 113 - symbol: Br # 120 coordinates: [ 0.650719655000000, 0.904942105000000, 0.750000000000000 ] mass: 79.904000 reduced_to: 113 - symbol: Br # 121 coordinates: [ 0.400719655000000, 0.345057895000000, 0.000000000000000 ] mass: 79.904000 reduced_to: 121 - symbol: Br # 122 coordinates: [ 0.900719655000000, 0.345057895000000, 0.000000000000000 ] mass: 79.904000 reduced_to: 121 - symbol: Br # 123 coordinates: [ 0.400719655000000, 0.845057895000000, 0.000000000000000 ] mass: 79.904000 reduced_to: 121 - symbol: Br # 124 coordinates: [ 0.900719655000000, 0.845057895000000, 0.000000000000000 ] mass: 79.904000 reduced_to: 121 - symbol: Br # 125 coordinates: [ 0.400719655000000, 0.345057895000000, 0.500000000000000 ] mass: 79.904000 reduced_to: 121 - symbol: Br # 126 coordinates: [ 0.900719655000000, 0.345057895000000, 0.500000000000000 ] mass: 79.904000 reduced_to: 121 - symbol: Br # 127 coordinates: [ 0.400719655000000, 0.845057895000000, 0.500000000000000 ] mass: 79.904000 reduced_to: 121 - symbol: Br # 128 coordinates: [ 0.900719655000000, 0.845057895000000, 0.500000000000000 ] mass: 79.904000 reduced_to: 121 - symbol: Te # 129 coordinates: [ 0.250000000000000, 0.250000000000000, 0.250000000000000 ] mass: 127.600000 reduced_to: 129 - symbol: Te # 130 coordinates: [ 0.750000000000000, 0.250000000000000, 0.250000000000000 ] mass: 127.600000 reduced_to: 129 - symbol: Te # 131 coordinates: [ 0.250000000000000, 0.750000000000000, 0.250000000000000 ] mass: 127.600000 reduced_to: 129 - symbol: Te # 132 coordinates: [ 0.750000000000000, 0.750000000000000, 0.250000000000000 ] mass: 127.600000 reduced_to: 129 - symbol: Te # 133 coordinates: [ 0.250000000000000, 0.250000000000000, 0.750000000000000 ] mass: 127.600000 reduced_to: 129 - symbol: Te # 134 coordinates: [ 0.750000000000000, 0.250000000000000, 0.750000000000000 ] mass: 127.600000 reduced_to: 129 - symbol: Te # 135 coordinates: [ 0.250000000000000, 0.750000000000000, 0.750000000000000 ] mass: 127.600000 reduced_to: 129 - symbol: Te # 136 coordinates: [ 0.750000000000000, 0.750000000000000, 0.750000000000000 ] mass: 127.600000 reduced_to: 129 - symbol: Te # 137 coordinates: [ 0.000000000000000, 0.000000000000000, 0.000000000000000 ] mass: 127.600000 reduced_to: 137 - symbol: Te # 138 coordinates: [ 0.500000000000000, 0.000000000000000, 0.000000000000000 ] mass: 127.600000 reduced_to: 137 - symbol: Te # 139 coordinates: [ 0.000000000000000, 0.500000000000000, 0.000000000000000 ] mass: 127.600000 reduced_to: 137 - symbol: Te # 140 coordinates: [ 0.500000000000000, 0.500000000000000, 0.000000000000000 ] mass: 127.600000 reduced_to: 137 - symbol: Te # 141 coordinates: [ 0.000000000000000, 0.000000000000000, 0.500000000000000 ] mass: 127.600000 reduced_to: 137 - symbol: Te # 142 coordinates: [ 0.500000000000000, 0.000000000000000, 0.500000000000000 ] mass: 127.600000 reduced_to: 137 - symbol: Te # 143 coordinates: [ 0.000000000000000, 0.500000000000000, 0.500000000000000 ] mass: 127.600000 reduced_to: 137 - symbol: Te # 144 coordinates: [ 0.500000000000000, 0.500000000000000, 0.500000000000000 ] mass: 127.600000 reduced_to: 137born_effective_charge:- # 1 (K) - [ 1.249858890000000, -0.129141930000000, 0.000000000000000 ] - [ -0.129141930000000, 1.249858890000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 1.347797510000000 ]- # 2 (K) - [ 1.249858890000000, 0.129141930000000, 0.000000000000000 ] - [ 0.129141930000000, 1.249858890000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 1.347797510000000 ]- # 3 (K) - [ 1.249858890000000, -0.129141930000000, 0.000000000000000 ] - [ -0.129141930000000, 1.249858890000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 1.347797510000000 ]- # 4 (K) - [ 1.249858890000000, 0.129141930000000, 0.000000000000000 ] - [ 0.129141930000000, 1.249858890000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 1.347797510000000 ]- # 5 (Br) - [ -1.804586740000000, -0.750184530000000, 0.000000000000000 ] - [ -0.938866470000000, -1.180930640000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -0.574766940000000 ]- # 6 (Br) - [ -1.804586740000000, -0.750184530000000, 0.000000000000000 ] - [ -0.938866470000000, -1.180930640000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -0.574766940000000 ]- # 7 (Br) - [ -0.514391930000000, -0.022632730000000, 0.000000000000000 ] - [ 0.022632720000000, -0.514391930000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -2.309635980000000 ]- # 8 (Br) - [ -0.514391930000000, 0.022632730000000, 0.000000000000000 ] - [ -0.022632720000000, -0.514391930000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -2.309635980000000 ]- # 9 (Br) - [ -0.514391930000000, -0.022632730000000, 0.000000000000000 ] - [ 0.022632720000000, -0.514391930000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -2.309635980000000 ]- # 10 (Br) - [ -0.514391930000000, 0.022632730000000, 0.000000000000000 ] - [ -0.022632720000000, -0.514391930000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -2.309635980000000 ]- # 11 (Br) - [ -1.180930640000000, -0.938866470000000, 0.000000000000000 ] - [ -0.750184530000000, -1.804586740000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -0.574766940000000 ]- # 12 (Br) - [ -1.804586740000000, 0.750184530000000, 0.000000000000000 ] - [ 0.938866470000000, -1.180930640000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -0.574766940000000 ]- # 13 (Br) - [ -1.804586740000000, 0.750184530000000, 0.000000000000000 ] - [ 0.938866470000000, -1.180930640000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -0.574766940000000 ]- # 14 (Br) - [ -1.180930640000000, 0.938866470000000, 0.000000000000000 ] - [ 0.750184530000000, -1.804586740000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -0.574766940000000 ]- # 15 (Br) - [ -1.180930640000000, 0.938866470000000, 0.000000000000000 ] - [ 0.750184530000000, -1.804586740000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -0.574766940000000 ]- # 16 (Br) - [ -1.180930640000000, -0.938866470000000, 0.000000000000000 ] - [ -0.750184530000000, -1.804586740000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -0.574766940000000 ]- # 17 (Te) - [ 4.500100830000000, -0.187150820000000, 0.000000000000000 ] - [ 0.187150820000000, 4.500100830000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 4.222744690000000 ]- # 18 (Te) - [ 4.500100830000000, 0.187150820000000, 0.000000000000000 ] - [ -0.187150820000000, 4.500100830000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 4.222744690000000 ]dielectric_constant: - [ 4.300573870000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, 4.300573870000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 4.150658880000000 ]displacements:- atom: 1 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0054763300000000, 0.0031040500000000, -0.0000067300000000 ] - [ 0.0009847400000000, -0.0000492100000000, -0.0000002700000000 ] - [ -0.0000257600000000, -0.0000491800000000, -0.0000004200000000 ] - [ 0.0000690400000000, 0.0000028800000000, -0.0000000100000000 ] - [ -0.0000405000000000, 0.0000137500000000, 0.0000002300000000 ] - [ 0.0000392900000000, -0.0000086900000000, 0.0000001700000000 ] - [ 0.0000000900000000, -0.0000086700000000, 0.0000001700000000 ] - [ 0.0000018700000000, 0.0000037100000000, 0.0000001700000000 ] - [ 0.0000261800000000, -0.0001973100000000, 0.0001827100000000 ] - [ 0.0000429700000000, 0.0001967400000000, -0.0002129200000000 ] - [ 0.0000430400000000, 0.0001975100000000, 0.0002132600000000 ] - [ 0.0000267300000000, -0.0001968900000000, -0.0001829000000000 ] - [ 0.0000424500000000, -0.0000791400000000, -0.0000675400000000 ] - [ 0.0000267600000000, 0.0000793100000000, 0.0000879000000000 ] - [ 0.0000262400000000, 0.0000793000000000, -0.0000879100000000 ] - [ 0.0000435100000000, -0.0000794200000000, 0.0000680300000000 ] - [ -0.0005450600000000, 0.0001419600000000, -0.0000002700000000 ] - [ 0.0004003900000000, -0.0000575700000000, 0.0000002900000000 ] - [ -0.0000666000000000, -0.0000124200000000, -0.0000000800000000 ] - [ 0.0000672800000000, 0.0000041300000000, -0.0000000500000000 ] - [ -0.0002378200000000, 0.0001419600000000, 0.0000007900000000 ] - [ 0.0000830800000000, -0.0000124300000000, -0.0000002000000000 ] - [ 0.0000263900000000, -0.0000575600000000, 0.0000002800000000 ] - [ 0.0000003200000000, 0.0000041400000000, -0.0000000900000000 ] - [ 0.0002102200000000, -0.0006287400000000, -0.0001220800000000 ] - [ 0.0002104100000000, 0.0006247400000000, 0.0001349900000000 ] - [ 0.0002103600000000, 0.0006286200000000, -0.0001357100000000 ] - [ 0.0002105100000000, -0.0006247900000000, 0.0001213700000000 ] - [ 0.0000000700000000, -0.0000180300000000, 0.0000053800000000 ] - [ 0.0000001200000000, 0.0000179300000000, -0.0000050400000000 ] - [ 0.0000000800000000, 0.0000179400000000, 0.0000054400000000 ] - [ 0.0000001100000000, -0.0000179700000000, -0.0000049800000000 ] - [ -0.0020372000000000, 0.0340890800000000, 0.0007149600000000 ] - [ -0.0028855300000000, 0.0345331100000000, 0.0001867400000000 ] - [ -0.0022201500000000, 0.0348185700000000, 0.0000098200000000 ] - [ -0.0022855800000000, 0.0349009200000000, 0.0000017700000000 ] - [ -0.0022491600000000, 0.0348569100000000, 0.0000103600000000 ] - [ -0.0022798100000000, 0.0348480600000000, -0.0000111900000000 ] - [ -0.0022450700000000, 0.0348660600000000, -0.0000037900000000 ] - [ -0.0022552100000000, 0.0348636600000000, 0.0000010100000000 ] - [ 0.0016331100000000, -0.0351822300000000, -0.0001874600000000 ] - [ 0.0024694100000000, -0.0356209900000000, -0.0006960200000000 ] - [ 0.0022316800000000, -0.0348152200000000, -0.0000016400000000 ] - [ 0.0022959000000000, -0.0348979500000000, -0.0000094000000000 ] - [ 0.0022370700000000, -0.0348683600000000, 0.0000110800000000 ] - [ 0.0022670400000000, -0.0348598500000000, -0.0000106200000000 ] - [ 0.0022616700000000, -0.0348527500000000, -0.0000011300000000 ] - [ 0.0022712500000000, -0.0348506200000000, 0.0000035500000000 ] - [ 0.0004321500000000, 0.0000333400000000, 0.0001689700000000 ] - [ -0.0001125900000000, 0.0000015600000000, 0.0002057000000000 ] - [ 0.0004316400000000, 0.0000342200000000, 0.0002513100000000 ] - [ -0.0001126900000000, 0.0000011800000000, 0.0002200100000000 ] - [ 0.0000206000000000, 0.0000017800000000, 0.0001902800000000 ] - [ -0.0000206700000000, -0.0000024200000000, 0.0002170300000000 ] - [ 0.0000206300000000, 0.0000017500000000, 0.0002340500000000 ] - [ -0.0000206500000000, -0.0000024200000000, 0.0002072000000000 ] - [ 0.0000540700000000, -0.0000183800000000, -0.0018913600000000 ] - [ -0.0000108700000000, -0.0000168900000000, 0.0014553600000000 ] - [ 0.0000022100000000, 0.0000022000000000, -0.0001772600000000 ] - [ 0.0000018400000000, 0.0000022500000000, -0.0002469400000000 ] - [ -0.0000005600000000, -0.0000014200000000, -0.0001564600000000 ] - [ -0.0000006200000000, -0.0000014100000000, -0.0002690400000000 ] - [ 0.0000018600000000, 0.0000019100000000, -0.0002203400000000 ] - [ 0.0000017900000000, 0.0000019100000000, -0.0002050800000000 ] - [ 0.0000694400000000, 0.0000083700000000, -0.0002572300000000 ] - [ -0.0000559600000000, -0.0000013900000000, -0.0002040300000000 ] - [ 0.0000695600000000, 0.0000083000000000, -0.0001679700000000 ] - [ -0.0000560200000000, -0.0000015000000000, -0.0002213800000000 ] - [ 0.0001588700000000, 0.0000799800000000, -0.0001608800000000 ] - [ -0.0000510000000000, -0.0000050100000000, -0.0002112000000000 ] - [ 0.0001595000000000, 0.0000800400000000, -0.0002667400000000 ] - [ -0.0000509900000000, -0.0000052000000000, -0.0002128300000000 ] - [ -0.0000837600000000, -0.0000058500000000, -0.0008862600000000 ] - [ -0.0000845100000000, -0.0000065700000000, 0.0013048400000000 ] - [ 0.0000004500000000, -0.0000013100000000, 0.0001844100000000 ] - [ 0.0000003100000000, -0.0000012700000000, 0.0002408900000000 ] - [ -0.0000106600000000, -0.0000027700000000, 0.0003311800000000 ] - [ -0.0000109200000000, -0.0000028900000000, 0.0000928400000000 ] - [ -0.0000000500000000, 0.0000010500000000, 0.0001987000000000 ] - [ -0.0000002500000000, 0.0000010800000000, 0.0002256000000000 ] - [ -0.0333753400000000, 0.0024613300000000, -0.0012104700000000 ] - [ -0.0350288700000000, 0.0020686100000000, -0.0000534000000000 ] - [ -0.0345088600000000, 0.0027127500000000, -0.0000343100000000 ] - [ -0.0349296900000000, 0.0021835800000000, -0.0000009100000000 ] - [ -0.0347838600000000, 0.0023386800000000, -0.0000238000000000 ] - [ -0.0349333000000000, 0.0021725500000000, 0.0000215200000000 ] - [ -0.0348174000000000, 0.0023030400000000, 0.0000066200000000 ] - [ -0.0348975700000000, 0.0022175500000000, -0.0000016800000000 ] - [ -0.0025281600000000, -0.0346905200000000, 0.0000757000000000 ] - [ -0.0016976600000000, -0.0354841000000000, -0.0004261000000000 ] - [ -0.0024538000000000, -0.0347980400000000, 0.0000197100000000 ] - [ -0.0019619900000000, -0.0349164100000000, -0.0000000700000000 ] - [ -0.0023759000000000, -0.0347926400000000, -0.0000313100000000 ] - [ -0.0021377700000000, -0.0349248200000000, 0.0000324700000000 ] - [ -0.0023286400000000, -0.0348320300000000, -0.0000143100000000 ] - [ -0.0021918100000000, -0.0348832800000000, 0.0000098600000000 ] - [ 0.0028232700000000, 0.0342314300000000, 0.0004263300000000 ] - [ 0.0019889800000000, 0.0350256000000000, -0.0000750900000000 ] - [ 0.0025547600000000, 0.0347998900000000, 0.0000000300000000 ] - [ 0.0020625200000000, 0.0349187700000000, -0.0000193700000000 ] - [ 0.0023791000000000, 0.0347915800000000, -0.0000327700000000 ] - [ 0.0021409300000000, 0.0349237500000000, 0.0000310300000000 ] - [ 0.0023245800000000, 0.0348333300000000, -0.0000100600000000 ] - [ 0.0021877800000000, 0.0348846400000000, 0.0000140500000000 ] - [ -0.0352275800000000, -0.0018449200000000, -0.0001770500000000 ] - [ -0.0350956100000000, -0.0024044800000000, 0.0005212300000000 ] - [ -0.0349092700000000, -0.0022822500000000, -0.0000107500000000 ] - [ -0.0348690900000000, -0.0021987900000000, 0.0000123300000000 ] - [ -0.0348688600000000, -0.0022506800000000, 0.0000114700000000 ] - [ -0.0348413000000000, -0.0022756600000000, -0.0000108300000000 ] - [ -0.0348615200000000, -0.0022629900000000, 0.0000049700000000 ] - [ -0.0348606600000000, -0.0022455300000000, -0.0000041200000000 ] - [ 0.0346223700000000, 0.0021112300000000, -0.0005225600000000 ] - [ 0.0344885900000000, 0.0026711100000000, 0.0001758400000000 ] - [ 0.0348480400000000, 0.0023174400000000, -0.0000121000000000 ] - [ 0.0348068100000000, 0.0022351000000000, 0.0000108500000000 ] - [ 0.0348754300000000, 0.0022408000000000, 0.0000106600000000 ] - [ 0.0348475400000000, 0.0022661500000000, -0.0000115700000000 ] - [ 0.0348561200000000, 0.0022709200000000, 0.0000039100000000 ] - [ 0.0348548800000000, 0.0022538200000000, -0.0000051000000000 ] - [ 0.0346871900000000, -0.0024489500000000, 0.0000540600000000 ] - [ 0.0363371000000000, -0.0020398400000000, 0.0011847900000000 ] - [ 0.0347873300000000, -0.0023323900000000, 0.0000011800000000 ] - [ 0.0352065900000000, -0.0018049000000000, 0.0000338500000000 ] - [ 0.0347830900000000, -0.0023443200000000, -0.0000218500000000 ] - [ 0.0349325000000000, -0.0021782500000000, 0.0000235400000000 ] - [ 0.0348191100000000, -0.0022988400000000, 0.0000014500000000 ] - [ 0.0348992300000000, -0.0022134300000000, -0.0000068000000000 ] - [ 0.0020791600000000, 0.0000195200000000, 0.0037594400000000 ] - [ 0.0020813200000000, 0.0000258200000000, -0.0037293900000000 ] - [ 0.0000437400000000, -0.0000448800000000, 0.0000020300000000 ] - [ 0.0000456400000000, -0.0000455100000000, -0.0000029000000000 ] - [ -0.0000063800000000, 0.0000143900000000, -0.0001738600000000 ] - [ -0.0000056500000000, 0.0000143200000000, 0.0001751400000000 ] - [ -0.0000074400000000, -0.0000162500000000, 0.0000154200000000 ] - [ -0.0000067800000000, -0.0000163700000000, -0.0000145300000000 ] - [ -0.0022313200000000, -0.0008252700000000, 0.0001551700000000 ] - [ 0.0006188400000000, 0.0000132400000000, 0.0000020200000000 ] - [ -0.0022374600000000, -0.0008311900000000, -0.0001432600000000 ] - [ 0.0006189800000000, 0.0000151100000000, -0.0000032800000000 ] - [ -0.0002166700000000, -0.0000197000000000, 0.0000573900000000 ] - [ 0.0002299300000000, 0.0000281100000000, -0.0000122900000000 ] - [ -0.0002167800000000, -0.0000190100000000, -0.0000568600000000 ] - [ 0.0002298100000000, 0.0000288200000000, 0.0000133000000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0105379600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004249300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004246100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002122500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001942900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001603500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001601900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001355800000000 ] - [ 0.0000878400000000, -0.0002129100000000, 0.0002172400000000 ] - [ -0.0000678600000000, -0.0001828400000000, 0.0002175300000000 ] - [ 0.0000678600000000, 0.0001828400000000, 0.0002175300000000 ] - [ -0.0000878400000000, 0.0002129100000000, 0.0002172400000000 ] - [ -0.0002131300000000, 0.0000879100000000, 0.0002173500000000 ] - [ 0.0001827000000000, 0.0000677600000000, 0.0002171000000000 ] - [ -0.0001827000000000, -0.0000677600000000, 0.0002171000000000 ] - [ 0.0002131300000000, -0.0000879100000000, 0.0002173500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006911200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002528400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000206700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000385400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006881900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000206900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002524600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000384800000000 ] - [ -0.0001360100000000, -0.0001346400000000, -0.0005643100000000 ] - [ 0.0001224600000000, -0.0001208600000000, -0.0005643500000000 ] - [ -0.0001224600000000, 0.0001208600000000, -0.0005643500000000 ] - [ 0.0001360100000000, 0.0001346400000000, -0.0005643100000000 ] - [ 0.0000052100000000, 0.0000052000000000, 0.0001618300000000 ] - [ -0.0000051500000000, 0.0000051300000000, 0.0001618000000000 ] - [ 0.0000051500000000, -0.0000051300000000, 0.0001618000000000 ] - [ -0.0000052100000000, -0.0000052000000000, 0.0001618300000000 ] - [ -0.0024777700000000, 0.0328132200000000, 0.0023241900000000 ] - [ -0.0013935800000000, 0.0353560900000000, 0.0000872000000000 ] - [ -0.0022048400000000, 0.0348404600000000, 0.0000864200000000 ] - [ -0.0022671300000000, 0.0348128100000000, 0.0000487300000000 ] - [ -0.0022050100000000, 0.0348723100000000, -0.0001086200000000 ] - [ -0.0023242100000000, 0.0348250000000000, -0.0000657600000000 ] - [ -0.0022148000000000, 0.0348846800000000, -0.0000783900000000 ] - [ -0.0023040800000000, 0.0348388500000000, -0.0000487100000000 ] - [ 0.0013935800000000, -0.0353560900000000, 0.0000872000000000 ] - [ 0.0024777700000000, -0.0328132200000000, 0.0023241900000000 ] - [ 0.0022671300000000, -0.0348128100000000, 0.0000487300000000 ] - [ 0.0022048400000000, -0.0348404600000000, 0.0000864200000000 ] - [ 0.0023242100000000, -0.0348250000000000, -0.0000657600000000 ] - [ 0.0022050100000000, -0.0348723100000000, -0.0001086200000000 ] - [ 0.0023040800000000, -0.0348388500000000, -0.0000487100000000 ] - [ 0.0022148000000000, -0.0348846800000000, -0.0000783900000000 ] - [ -0.0000041300000000, -0.0002862200000000, 0.0010601900000000 ] - [ 0.0000001300000000, 0.0000246100000000, 0.0005628600000000 ] - [ 0.0000041300000000, 0.0002862200000000, 0.0010601900000000 ] - [ -0.0000001300000000, -0.0000246100000000, 0.0005628600000000 ] - [ -0.0000000300000000, 0.0000097200000000, -0.0001356400000000 ] - [ -0.0000003600000000, 0.0000081100000000, -0.0000497400000000 ] - [ 0.0000000300000000, -0.0000097200000000, -0.0001356400000000 ] - [ 0.0000003600000000, -0.0000081100000000, -0.0000497400000000 ] - [ -0.0002847900000000, -0.0000041600000000, 0.0006483600000000 ] - [ 0.0002847900000000, 0.0000041600000000, 0.0006483600000000 ] - [ 0.0000248700000000, -0.0000000400000000, 0.0001440200000000 ] - [ -0.0000248700000000, 0.0000000400000000, 0.0001440200000000 ] - [ 0.0000096400000000, 0.0000000200000000, -0.0005546400000000 ] - [ -0.0000096400000000, -0.0000000200000000, -0.0005546400000000 ] - [ 0.0000080500000000, -0.0000004100000000, -0.0004685300000000 ] - [ -0.0000080500000000, 0.0000004100000000, -0.0004685300000000 ] - [ 0.0000020800000000, 0.0000600200000000, -0.0006003900000000 ] - [ 0.0000017400000000, 0.0000275300000000, -0.0004610200000000 ] - [ -0.0000020800000000, -0.0000600200000000, -0.0006003900000000 ] - [ -0.0000017400000000, -0.0000275300000000, -0.0004610200000000 ] - [ -0.0000510400000000, -0.0001607300000000, -0.0002130500000000 ] - [ -0.0000029800000000, 0.0000038800000000, -0.0000477000000000 ] - [ 0.0000510400000000, 0.0001607300000000, -0.0002130500000000 ] - [ 0.0000029800000000, -0.0000038800000000, -0.0000477000000000 ] - [ -0.0001605700000000, -0.0000503100000000, 0.0002090800000000 ] - [ 0.0001605700000000, 0.0000503100000000, 0.0002090800000000 ] - [ 0.0000039400000000, -0.0000030800000000, 0.0003711400000000 ] - [ -0.0000039400000000, 0.0000030800000000, 0.0003711400000000 ] - [ 0.0000598200000000, 0.0000022500000000, -0.0001816300000000 ] - [ -0.0000598200000000, -0.0000022500000000, -0.0001816300000000 ] - [ 0.0000274900000000, 0.0000016200000000, -0.0000422100000000 ] - [ -0.0000274900000000, -0.0000016200000000, -0.0000422100000000 ] - [ -0.0368454100000000, 0.0019840600000000, 0.0022270000000000 ] - [ -0.0348783100000000, 0.0023079800000000, 0.0000861600000000 ] - [ -0.0343639100000000, 0.0031169600000000, 0.0000861400000000 ] - [ -0.0349060200000000, 0.0022463000000000, 0.0000487200000000 ] - [ -0.0348466700000000, 0.0023086800000000, -0.0001089300000000 ] - [ -0.0348341300000000, 0.0022985000000000, -0.0000784700000000 ] - [ -0.0348938000000000, 0.0021891300000000, -0.0000657400000000 ] - [ -0.0348799700000000, 0.0022092500000000, -0.0000485400000000 ] - [ -0.0022048700000000, -0.0349084700000000, 0.0000724000000000 ] - [ -0.0023023300000000, -0.0354142000000000, -0.0002631200000000 ] - [ -0.0022470200000000, -0.0348155300000000, 0.0000632300000000 ] - [ -0.0025854300000000, -0.0345439700000000, 0.0000844200000000 ] - [ -0.0022830700000000, -0.0348363200000000, -0.0000715500000000 ] - [ -0.0022717000000000, -0.0348367600000000, -0.0000847500000000 ] - [ -0.0022320900000000, -0.0348883000000000, -0.0000611000000000 ] - [ -0.0022138100000000, -0.0348949500000000, -0.0000674200000000 ] - [ 0.0023023300000000, 0.0354142000000000, -0.0002631200000000 ] - [ 0.0022048700000000, 0.0349084700000000, 0.0000724000000000 ] - [ 0.0025854300000000, 0.0345439700000000, 0.0000844200000000 ] - [ 0.0022470200000000, 0.0348155300000000, 0.0000632300000000 ] - [ 0.0022717000000000, 0.0348367600000000, -0.0000847500000000 ] - [ 0.0022830700000000, 0.0348363200000000, -0.0000715500000000 ] - [ 0.0022138100000000, 0.0348949500000000, -0.0000674200000000 ] - [ 0.0022320900000000, 0.0348883000000000, -0.0000611000000000 ] - [ -0.0351755200000000, -0.0019276300000000, 0.0000849300000000 ] - [ -0.0343016700000000, -0.0022118200000000, -0.0002618500000000 ] - [ -0.0349032600000000, -0.0022667700000000, 0.0000633100000000 ] - [ -0.0348103300000000, -0.0023084400000000, 0.0000727000000000 ] - [ -0.0348238100000000, -0.0022994800000000, -0.0000674100000000 ] - [ -0.0348820000000000, -0.0022416600000000, -0.0000847000000000 ] - [ -0.0348305800000000, -0.0022813300000000, -0.0000610400000000 ] - [ -0.0348825200000000, -0.0022302200000000, -0.0000715400000000 ] - [ 0.0343016700000000, 0.0022118200000000, -0.0002618500000000 ] - [ 0.0351755200000000, 0.0019276300000000, 0.0000849300000000 ] - [ 0.0348103300000000, 0.0023084400000000, 0.0000727000000000 ] - [ 0.0349032600000000, 0.0022667700000000, 0.0000633100000000 ] - [ 0.0348820000000000, 0.0022416600000000, -0.0000847000000000 ] - [ 0.0348238100000000, 0.0022994800000000, -0.0000674100000000 ] - [ 0.0348825200000000, 0.0022302200000000, -0.0000715400000000 ] - [ 0.0348305800000000, 0.0022813300000000, -0.0000610400000000 ] - [ 0.0348783100000000, -0.0023079800000000, 0.0000861600000000 ] - [ 0.0368454100000000, -0.0019840600000000, 0.0022270000000000 ] - [ 0.0349060200000000, -0.0022463000000000, 0.0000487200000000 ] - [ 0.0343639100000000, -0.0031169600000000, 0.0000861400000000 ] - [ 0.0348341300000000, -0.0022985000000000, -0.0000784700000000 ] - [ 0.0348466700000000, -0.0023086800000000, -0.0001089300000000 ] - [ 0.0348799700000000, -0.0022092500000000, -0.0000485400000000 ] - [ 0.0348938000000000, -0.0021891300000000, -0.0000657400000000 ] - [ 0.0036746500000000, 0.0008869400000000, -0.0004883700000000 ] - [ -0.0036746500000000, -0.0008869400000000, -0.0004883700000000 ] - [ 0.0000464500000000, -0.0000833700000000, -0.0004646100000000 ] - [ -0.0000464500000000, 0.0000833700000000, -0.0004646100000000 ] - [ -0.0001172900000000, 0.0000108100000000, 0.0006940100000000 ] - [ 0.0001172900000000, -0.0000108100000000, 0.0006940100000000 ] - [ -0.0001047300000000, 0.0000072000000000, 0.0004689300000000 ] - [ 0.0001047300000000, -0.0000072000000000, 0.0004689300000000 ] - [ 0.0008860800000000, 0.0036608300000000, -0.0004782200000000 ] - [ -0.0000836000000000, 0.0000471800000000, -0.0004646000000000 ] - [ -0.0008860800000000, -0.0036608300000000, -0.0004782200000000 ] - [ 0.0000836000000000, -0.0000471800000000, -0.0004646000000000 ] - [ 0.0000107100000000, -0.0001175400000000, 0.0006938500000000 ] - [ 0.0000071400000000, -0.0001047300000000, 0.0004690000000000 ] - [ -0.0000107100000000, 0.0001175400000000, 0.0006938500000000 ] - [ -0.0000071400000000, 0.0001047300000000, 0.0004690000000000 ]- atom: 33 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0002094300000000, 0.0002190700000000, -0.0002614600000000 ] - [ -0.0006268300000000, 0.0004562500000000, 0.0008655100000000 ] - [ 0.0000372200000000, -0.0001907600000000, 0.0000510300000000 ] - [ -0.0000260900000000, -0.0000749300000000, -0.0000108200000000 ] - [ 0.0000089600000000, 0.0000800700000000, 0.0000521000000000 ] - [ -0.0000213800000000, 0.0000449900000000, -0.0000675700000000 ] - [ 0.0000133100000000, -0.0000860300000000, 0.0000419000000000 ] - [ 0.0000033900000000, -0.0000407000000000, -0.0000476400000000 ] - [ 0.0005681000000000, 0.0001426600000000, -0.0000393300000000 ] - [ -0.0002701300000000, -0.0000591900000000, 0.0000519200000000 ] - [ 0.0002978900000000, -0.0004141600000000, -0.0003293400000000 ] - [ -0.0001964200000000, 0.0000231400000000, 0.0000093700000000 ] - [ 0.0001206200000000, 0.0000174000000000, -0.0000150100000000 ] - [ -0.0001175200000000, -0.0000126400000000, -0.0000263500000000 ] - [ 0.0000666200000000, -0.0000076800000000, 0.0000429200000000 ] - [ -0.0000704600000000, 0.0000045800000000, 0.0000246600000000 ] - [ 0.0002094300000000, 0.0002190700000000, 0.0002614600000000 ] - [ -0.0006268300000000, 0.0004562500000000, -0.0008655100000000 ] - [ 0.0000372200000000, -0.0001907600000000, -0.0000510300000000 ] - [ -0.0000260900000000, -0.0000749300000000, 0.0000108200000000 ] - [ 0.0000089600000000, 0.0000800700000000, -0.0000521000000000 ] - [ -0.0000213800000000, 0.0000449900000000, 0.0000675700000000 ] - [ 0.0000133100000000, -0.0000860300000000, -0.0000419000000000 ] - [ 0.0000033900000000, -0.0000407000000000, 0.0000476400000000 ] - [ 0.0005681000000000, 0.0001426600000000, 0.0000393300000000 ] - [ -0.0002701300000000, -0.0000591900000000, -0.0000519200000000 ] - [ 0.0002978900000000, -0.0004141600000000, 0.0003293400000000 ] - [ -0.0001964200000000, 0.0000231400000000, -0.0000093700000000 ] - [ 0.0001206200000000, 0.0000174000000000, 0.0000150100000000 ] - [ -0.0001175200000000, -0.0000126400000000, 0.0000263500000000 ] - [ 0.0000666200000000, -0.0000076800000000, -0.0000429200000000 ] - [ -0.0000704600000000, 0.0000045800000000, -0.0000246600000000 ] - [ -0.0480160900000000, 0.0122754700000000, 0.0000000000000000 ] - [ -0.0014724800000000, 0.0350366900000000, 0.0000000000000000 ] - [ -0.0022906600000000, 0.0349556200000000, 0.0000000000000000 ] - [ -0.0020147500000000, 0.0350045000000000, 0.0000000000000000 ] - [ -0.0023754800000000, 0.0347850300000000, 0.0000000000000000 ] - [ -0.0022113900000000, 0.0348690700000000, 0.0000000000000000 ] - [ -0.0022848300000000, 0.0348589800000000, 0.0000000000000000 ] - [ -0.0021573000000000, 0.0349214100000000, 0.0000000000000000 ] - [ 0.0112020500000000, -0.0293747100000000, 0.0000000000000000 ] - [ 0.0048538800000000, -0.0354332900000000, 0.0000000000000000 ] - [ 0.0022401400000000, -0.0349888100000000, 0.0000000000000000 ] - [ 0.0025452100000000, -0.0347299900000000, 0.0000000000000000 ] - [ 0.0021615700000000, -0.0349197300000000, 0.0000000000000000 ] - [ 0.0022823400000000, -0.0348596800000000, 0.0000000000000000 ] - [ 0.0022183900000000, -0.0348684800000000, 0.0000000000000000 ] - [ 0.0023704500000000, -0.0347878000000000, 0.0000000000000000 ] - [ 0.0000810000000000, 0.0004347400000000, 0.0018675500000000 ] - [ 0.0000325700000000, -0.0000561700000000, 0.0000344200000000 ] - [ -0.0000290400000000, -0.0000942700000000, 0.0002086600000000 ] - [ 0.0000484200000000, 0.0000792500000000, -0.0003720500000000 ] - [ -0.0000055500000000, -0.0000001400000000, -0.0004833400000000 ] - [ 0.0000145700000000, -0.0000117800000000, 0.0003308200000000 ] - [ -0.0000204100000000, -0.0000051300000000, 0.0002128900000000 ] - [ 0.0000157000000000, 0.0000176600000000, 0.0005661800000000 ] - [ -0.0003597800000000, 0.0000633800000000, -0.0024129700000000 ] - [ 0.0003003400000000, -0.0000688200000000, -0.0002286700000000 ] - [ -0.0000527400000000, 0.0000542400000000, -0.0001984400000000 ] - [ 0.0000538600000000, 0.0000395800000000, -0.0002011500000000 ] - [ -0.0000294300000000, -0.0000177900000000, -0.0002009700000000 ] - [ 0.0000275800000000, -0.0000177000000000, -0.0002120000000000 ] - [ -0.0000248600000000, 0.0000187800000000, -0.0002074400000000 ] - [ 0.0000275200000000, 0.0000165000000000, -0.0002086300000000 ] - [ 0.0000810000000000, 0.0004347400000000, -0.0018675500000000 ] - [ 0.0000325700000000, -0.0000561700000000, -0.0000344200000000 ] - [ -0.0000290400000000, -0.0000942700000000, -0.0002086600000000 ] - [ 0.0000484200000000, 0.0000792500000000, 0.0003720500000000 ] - [ -0.0000055500000000, -0.0000001400000000, 0.0004833400000000 ] - [ 0.0000145700000000, -0.0000117800000000, -0.0003308200000000 ] - [ -0.0000204100000000, -0.0000051300000000, -0.0002128900000000 ] - [ 0.0000157000000000, 0.0000176600000000, -0.0005661800000000 ] - [ -0.0003597800000000, 0.0000633800000000, 0.0024129700000000 ] - [ 0.0003003400000000, -0.0000688200000000, 0.0002286700000000 ] - [ -0.0000527400000000, 0.0000542400000000, 0.0001984400000000 ] - [ 0.0000538600000000, 0.0000395800000000, 0.0002011500000000 ] - [ -0.0000294300000000, -0.0000177900000000, 0.0002009700000000 ] - [ 0.0000275800000000, -0.0000177000000000, 0.0002120000000000 ] - [ -0.0000248600000000, 0.0000187800000000, 0.0002074400000000 ] - [ 0.0000275200000000, 0.0000165000000000, 0.0002086300000000 ] - [ -0.0350574700000000, 0.0021284400000000, 0.0001024200000000 ] - [ -0.0348001100000000, 0.0022238000000000, -0.0000565700000000 ] - [ -0.0349178200000000, 0.0022243700000000, 0.0000065300000000 ] - [ -0.0347655000000000, 0.0023935900000000, -0.0000647100000000 ] - [ -0.0350574700000000, 0.0021284400000000, -0.0001024200000000 ] - [ -0.0348001100000000, 0.0022238000000000, 0.0000565700000000 ] - [ -0.0349178200000000, 0.0022243700000000, -0.0000065300000000 ] - [ -0.0347655000000000, 0.0023935900000000, 0.0000647100000000 ] - [ -0.0021842200000000, -0.0349377300000000, -0.0000425200000000 ] - [ -0.0021834700000000, -0.0348840800000000, 0.0000679100000000 ] - [ -0.0022901000000000, -0.0348204000000000, -0.0000509200000000 ] - [ -0.0022894100000000, -0.0348191600000000, -0.0000052200000000 ] - [ -0.0021842200000000, -0.0349377300000000, 0.0000425200000000 ] - [ -0.0021834700000000, -0.0348840800000000, -0.0000679100000000 ] - [ -0.0022901000000000, -0.0348204000000000, 0.0000509200000000 ] - [ -0.0022894100000000, -0.0348191600000000, 0.0000052200000000 ] - [ 0.0021173800000000, 0.0348841700000000, -0.0000196400000000 ] - [ 0.0023588600000000, 0.0348186100000000, -0.0000308900000000 ] - [ 0.0021177800000000, 0.0349266300000000, 0.0000307200000000 ] - [ 0.0023587800000000, 0.0348267400000000, -0.0000119800000000 ] - [ 0.0021173800000000, 0.0348841700000000, 0.0000196400000000 ] - [ 0.0023588600000000, 0.0348186100000000, 0.0000308900000000 ] - [ 0.0021177800000000, 0.0349266300000000, -0.0000307200000000 ] - [ 0.0023587800000000, 0.0348267400000000, 0.0000119800000000 ] - [ -0.0322145700000000, -0.0032173500000000, 0.0000000000000000 ] - [ -0.0319016000000000, -0.0022108300000000, 0.0000000000000000 ] - [ -0.0356771200000000, -0.0011724700000000, 0.0000000000000000 ] - [ -0.0347590500000000, -0.0022522000000000, 0.0000000000000000 ] - [ -0.0348788200000000, -0.0022529300000000, 0.0000000000000000 ] - [ -0.0347873100000000, -0.0023618100000000, 0.0000000000000000 ] - [ -0.0349227800000000, -0.0021648900000000, 0.0000000000000000 ] - [ -0.0348474300000000, -0.0022498500000000, 0.0000000000000000 ] - [ 0.0319875500000000, 0.0032159300000000, 0.0000000000000000 ] - [ 0.0364072100000000, 0.0011762300000000, 0.0000000000000000 ] - [ 0.0342389200000000, 0.0022089100000000, 0.0000000000000000 ] - [ 0.0349787600000000, 0.0022525000000000, 0.0000000000000000 ] - [ 0.0348440800000000, 0.0022528900000000, 0.0000000000000000 ] - [ 0.0349260200000000, 0.0021648300000000, 0.0000000000000000 ] - [ 0.0347842100000000, 0.0023616700000000, 0.0000000000000000 ] - [ 0.0348826000000000, 0.0022499300000000, 0.0000000000000000 ] - [ 0.0349275600000000, -0.0021389200000000, -0.0001288400000000 ] - [ 0.0348676000000000, -0.0024391000000000, 0.0001459000000000 ] - [ 0.0348255800000000, -0.0022824300000000, -0.0000181000000000 ] - [ 0.0349273200000000, -0.0021387400000000, 0.0001490800000000 ] - [ 0.0349275600000000, -0.0021389200000000, 0.0001288400000000 ] - [ 0.0348676000000000, -0.0024391000000000, -0.0001459000000000 ] - [ 0.0348255800000000, -0.0022824300000000, 0.0000181000000000 ] - [ 0.0349273200000000, -0.0021387400000000, -0.0001490800000000 ] - [ 0.0320724100000000, 0.0165933800000000, 0.0000000000000000 ] - [ -0.0034585100000000, 0.0009436100000000, 0.0000000000000000 ] - [ 0.0013133500000000, -0.0017996900000000, 0.0000000000000000 ] - [ -0.0006271700000000, -0.0002655500000000, 0.0000000000000000 ] - [ 0.0001939600000000, 0.0000970100000000, 0.0000000000000000 ] - [ -0.0001538400000000, 0.0001524800000000, 0.0000000000000000 ] - [ 0.0001537000000000, -0.0001514900000000, 0.0000000000000000 ] - [ -0.0001934200000000, -0.0000969800000000, 0.0000000000000000 ] - [ 0.0002567500000000, 0.0002565000000000, -0.0018001600000000 ] - [ -0.0001395600000000, 0.0001241300000000, 0.0002812000000000 ] - [ 0.0002365100000000, 0.0001105300000000, -0.0000494100000000 ] - [ -0.0001490100000000, -0.0001201400000000, 0.0008682100000000 ] - [ 0.0002567500000000, 0.0002565000000000, 0.0018001600000000 ] - [ -0.0001395600000000, 0.0001241300000000, -0.0002812000000000 ] - [ 0.0002365100000000, 0.0001105300000000, 0.0000494100000000 ] - [ -0.0001490100000000, -0.0001201400000000, -0.0008682100000000 ]- atom: 33 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0002228700000000, -0.0002026500000000, 0.0002327000000000 ] - [ 0.0006253900000000, -0.0004515700000000, -0.0008577400000000 ] - [ -0.0000385400000000, 0.0001896900000000, -0.0000519800000000 ] - [ 0.0000272700000000, 0.0000738400000000, 0.0000099600000000 ] - [ -0.0000090400000000, -0.0000800400000000, -0.0000516600000000 ] - [ 0.0000213900000000, -0.0000447000000000, 0.0000673200000000 ] - [ -0.0000133200000000, 0.0000857900000000, -0.0000415600000000 ] - [ -0.0000032100000000, 0.0000401700000000, 0.0000476200000000 ] - [ -0.0005577000000000, -0.0001505000000000, 0.0000518700000000 ] - [ 0.0002687700000000, 0.0000594500000000, -0.0000518200000000 ] - [ -0.0002949400000000, 0.0004121100000000, 0.0003289600000000 ] - [ 0.0001953400000000, -0.0000243100000000, -0.0000104200000000 ] - [ -0.0001205200000000, -0.0000175900000000, 0.0000145700000000 ] - [ 0.0001174500000000, 0.0000124900000000, 0.0000262000000000 ] - [ -0.0000660500000000, 0.0000075800000000, -0.0000429000000000 ] - [ 0.0000699900000000, -0.0000047600000000, -0.0000245300000000 ] - [ -0.0002228700000000, -0.0002026500000000, -0.0002327000000000 ] - [ 0.0006253900000000, -0.0004515700000000, 0.0008577400000000 ] - [ -0.0000385400000000, 0.0001896900000000, 0.0000519800000000 ] - [ 0.0000272700000000, 0.0000738400000000, -0.0000099600000000 ] - [ -0.0000090400000000, -0.0000800400000000, 0.0000516600000000 ] - [ 0.0000213900000000, -0.0000447000000000, -0.0000673200000000 ] - [ -0.0000133200000000, 0.0000857900000000, 0.0000415600000000 ] - [ -0.0000032100000000, 0.0000401700000000, -0.0000476200000000 ] - [ -0.0005577000000000, -0.0001505000000000, -0.0000518700000000 ] - [ 0.0002687700000000, 0.0000594500000000, 0.0000518200000000 ] - [ -0.0002949400000000, 0.0004121100000000, -0.0003289600000000 ] - [ 0.0001953400000000, -0.0000243100000000, 0.0000104200000000 ] - [ -0.0001205200000000, -0.0000175900000000, -0.0000145700000000 ] - [ 0.0001174500000000, 0.0000124900000000, -0.0000262000000000 ] - [ -0.0000660500000000, 0.0000075800000000, 0.0000429000000000 ] - [ 0.0000699900000000, -0.0000047600000000, 0.0000245300000000 ] - [ 0.0423344700000000, 0.0565640200000000, 0.0000000000000000 ] - [ -0.0030394300000000, 0.0346830800000000, 0.0000000000000000 ] - [ -0.0022209600000000, 0.0347643300000000, 0.0000000000000000 ] - [ -0.0024984000000000, 0.0347144800000000, 0.0000000000000000 ] - [ -0.0021394700000000, 0.0349328100000000, 0.0000000000000000 ] - [ -0.0023031400000000, 0.0348488300000000, 0.0000000000000000 ] - [ -0.0022297700000000, 0.0348589500000000, 0.0000000000000000 ] - [ -0.0023568400000000, 0.0347966000000000, 0.0000000000000000 ] - [ -0.0065435300000000, -0.0402533300000000, 0.0000000000000000 ] - [ -0.0003517800000000, -0.0342697700000000, 0.0000000000000000 ] - [ 0.0022721700000000, -0.0347288400000000, 0.0000000000000000 ] - [ 0.0019705400000000, -0.0349866200000000, 0.0000000000000000 ] - [ 0.0023529300000000, -0.0347987200000000, 0.0000000000000000 ] - [ 0.0022324000000000, -0.0348585600000000, 0.0000000000000000 ] - [ 0.0022960000000000, -0.0348497400000000, 0.0000000000000000 ] - [ 0.0021445000000000, -0.0349301500000000, 0.0000000000000000 ] - [ -0.0000742100000000, -0.0004313800000000, -0.0014440100000000 ] - [ -0.0000333100000000, 0.0000557700000000, 0.0003862000000000 ] - [ 0.0000296600000000, 0.0000938100000000, 0.0002130100000000 ] - [ -0.0000493400000000, -0.0000798800000000, 0.0007893000000000 ] - [ 0.0000056200000000, -0.0000000300000000, 0.0009057600000000 ] - [ -0.0000145900000000, 0.0000116400000000, 0.0000906300000000 ] - [ 0.0000205400000000, 0.0000049600000000, 0.0002079900000000 ] - [ -0.0000157200000000, -0.0000177500000000, -0.0001417200000000 ] - [ 0.0003575500000000, -0.0000598600000000, 0.0019721500000000 ] - [ -0.0002989600000000, 0.0000677800000000, -0.0001933200000000 ] - [ 0.0000522800000000, -0.0000533400000000, -0.0002209400000000 ] - [ -0.0000535100000000, -0.0000393400000000, -0.0002199600000000 ] - [ 0.0000293100000000, 0.0000176100000000, -0.0002203100000000 ] - [ -0.0000273900000000, 0.0000174800000000, -0.0002090400000000 ] - [ 0.0000248200000000, -0.0000189400000000, -0.0002137200000000 ] - [ -0.0000273400000000, -0.0000165700000000, -0.0002122900000000 ] - [ -0.0000742100000000, -0.0004313800000000, 0.0014440100000000 ] - [ -0.0000333100000000, 0.0000557700000000, -0.0003862000000000 ] - [ 0.0000296600000000, 0.0000938100000000, -0.0002130100000000 ] - [ -0.0000493400000000, -0.0000798800000000, -0.0007893000000000 ] - [ 0.0000056200000000, -0.0000000300000000, -0.0009057600000000 ] - [ -0.0000145900000000, 0.0000116400000000, -0.0000906300000000 ] - [ 0.0000205400000000, 0.0000049600000000, -0.0002079900000000 ] - [ -0.0000157200000000, -0.0000177500000000, 0.0001417200000000 ] - [ 0.0003575500000000, -0.0000598600000000, -0.0019721500000000 ] - [ -0.0002989600000000, 0.0000677800000000, 0.0001933200000000 ] - [ 0.0000522800000000, -0.0000533400000000, 0.0002209400000000 ] - [ -0.0000535100000000, -0.0000393400000000, 0.0002199600000000 ] - [ 0.0000293100000000, 0.0000176100000000, 0.0002203100000000 ] - [ -0.0000273900000000, 0.0000174800000000, 0.0002090400000000 ] - [ 0.0000248200000000, -0.0000189400000000, 0.0002137200000000 ] - [ -0.0000273400000000, -0.0000165700000000, 0.0002122900000000 ] - [ -0.0346595700000000, 0.0023869100000000, -0.0001003800000000 ] - [ -0.0349181000000000, 0.0022897900000000, 0.0000561300000000 ] - [ -0.0347999600000000, 0.0022904500000000, -0.0000061700000000 ] - [ -0.0349521900000000, 0.0021215900000000, 0.0000642700000000 ] - [ -0.0346595700000000, 0.0023869100000000, 0.0001003800000000 ] - [ -0.0349181000000000, 0.0022897900000000, -0.0000561300000000 ] - [ -0.0347999600000000, 0.0022904500000000, 0.0000061700000000 ] - [ -0.0349521900000000, 0.0021215900000000, -0.0000642700000000 ] - [ -0.0023313600000000, -0.0347803500000000, 0.0000433400000000 ] - [ -0.0023305000000000, -0.0348345100000000, -0.0000671700000000 ] - [ -0.0022255300000000, -0.0348971700000000, 0.0000509500000000 ] - [ -0.0022248500000000, -0.0348989900000000, 0.0000051900000000 ] - [ -0.0023313600000000, -0.0347803500000000, -0.0000433400000000 ] - [ -0.0023305000000000, -0.0348345100000000, 0.0000671700000000 ] - [ -0.0022255300000000, -0.0348971700000000, -0.0000509500000000 ] - [ -0.0022248500000000, -0.0348989900000000, -0.0000051900000000 ] - [ 0.0023973700000000, 0.0348336400000000, 0.0000200200000000 ] - [ 0.0021558200000000, 0.0348993100000000, 0.0000304400000000 ] - [ 0.0023977800000000, 0.0347911500000000, -0.0000296200000000 ] - [ 0.0021556800000000, 0.0348914300000000, 0.0000119600000000 ] - [ 0.0023973700000000, 0.0348336400000000, -0.0000200200000000 ] - [ 0.0021558200000000, 0.0348993100000000, -0.0000304400000000 ] - [ 0.0023977800000000, 0.0347911500000000, 0.0000296200000000 ] - [ 0.0021556800000000, 0.0348914300000000, -0.0000119600000000 ] - [ -0.0374173000000000, -0.0013002200000000, 0.0000000000000000 ] - [ -0.0378723500000000, -0.0023325000000000, 0.0000000000000000 ] - [ -0.0340493700000000, -0.0033302900000000, 0.0000000000000000 ] - [ -0.0349586600000000, -0.0022621300000000, 0.0000000000000000 ] - [ -0.0348391000000000, -0.0022618500000000, 0.0000000000000000 ] - [ -0.0349305900000000, -0.0021530200000000, 0.0000000000000000 ] - [ -0.0347955500000000, -0.0023494100000000, 0.0000000000000000 ] - [ -0.0348705700000000, -0.0022649200000000, 0.0000000000000000 ] - [ 0.0376941500000000, 0.0012984300000000, 0.0000000000000000 ] - [ 0.0333152200000000, 0.0033340000000000, 0.0000000000000000 ] - [ 0.0354522700000000, 0.0023300700000000, 0.0000000000000000 ] - [ 0.0347389000000000, 0.0022625300000000, 0.0000000000000000 ] - [ 0.0348737900000000, 0.0022616600000000, 0.0000000000000000 ] - [ 0.0347923400000000, 0.0023492900000000, 0.0000000000000000 ] - [ 0.0349338200000000, 0.0021528300000000, 0.0000000000000000 ] - [ 0.0348356000000000, 0.0022647700000000, 0.0000000000000000 ] - [ 0.0347903300000000, -0.0023757600000000, 0.0001283300000000 ] - [ 0.0348508100000000, -0.0020757700000000, -0.0001457300000000 ] - [ 0.0348918500000000, -0.0022328900000000, 0.0000184400000000 ] - [ 0.0347910600000000, -0.0023755800000000, -0.0001486200000000 ] - [ 0.0347903300000000, -0.0023757600000000, -0.0001283300000000 ] - [ 0.0348508100000000, -0.0020757700000000, 0.0001457300000000 ] - [ 0.0348918500000000, -0.0022328900000000, -0.0000184400000000 ] - [ 0.0347910600000000, -0.0023755800000000, 0.0001486200000000 ] - [ -0.0310211800000000, -0.0158220900000000, 0.0000000000000000 ] - [ 0.0034451600000000, -0.0009284700000000, 0.0000000000000000 ] - [ -0.0012900000000000, 0.0017692700000000, 0.0000000000000000 ] - [ 0.0006255400000000, 0.0002629500000000, 0.0000000000000000 ] - [ -0.0001932900000000, -0.0000969100000000, 0.0000000000000000 ] - [ 0.0001535900000000, -0.0001522100000000, 0.0000000000000000 ] - [ -0.0001531600000000, 0.0001509300000000, 0.0000000000000000 ] - [ 0.0001928900000000, 0.0000963100000000, 0.0000000000000000 ] - [ -0.0002588100000000, -0.0002591500000000, 0.0017956900000000 ] - [ 0.0001414200000000, -0.0001237200000000, -0.0002805300000000 ] - [ -0.0002370800000000, -0.0001106800000000, 0.0000487500000000 ] - [ 0.0001501100000000, 0.0001201000000000, -0.0008604300000000 ] - [ -0.0002588100000000, -0.0002591500000000, -0.0017956900000000 ] - [ 0.0001414200000000, -0.0001237200000000, 0.0002805300000000 ] - [ -0.0002370800000000, -0.0001106800000000, -0.0000487500000000 ] - [ 0.0001501100000000, 0.0001201000000000, 0.0008604300000000 ]- atom: 33 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0007751400000000, 0.0014815800000000, -0.0020353600000000 ] - [ -0.0003233800000000, 0.0003485000000000, 0.0004953300000000 ] - [ -0.0000389200000000, -0.0001703900000000, -0.0000182000000000 ] - [ 0.0000419200000000, -0.0000709300000000, -0.0000459500000000 ] - [ -0.0000016200000000, 0.0000740700000000, 0.0000127900000000 ] - [ -0.0000101300000000, 0.0000410200000000, -0.0000342800000000 ] - [ 0.0000078200000000, -0.0000748100000000, 0.0000251300000000 ] - [ 0.0000055800000000, -0.0000390700000000, -0.0000204500000000 ] - [ 0.0006250600000000, -0.0002385600000000, 0.0005549900000000 ] - [ -0.0001671500000000, -0.0000108300000000, 0.0000489100000000 ] - [ 0.0000584400000000, -0.0003666800000000, -0.0003170800000000 ] - [ -0.0000605400000000, -0.0000507600000000, -0.0000433600000000 ] - [ 0.0000664000000000, 0.0000167600000000, -0.0000226600000000 ] - [ -0.0000651600000000, -0.0000023900000000, -0.0000228500000000 ] - [ 0.0000252100000000, -0.0000105800000000, 0.0000353900000000 ] - [ -0.0000262800000000, -0.0000031300000000, 0.0000289200000000 ] - [ -0.0007751400000000, 0.0014815800000000, 0.0020353600000000 ] - [ -0.0003233800000000, 0.0003485000000000, -0.0004953300000000 ] - [ -0.0000389200000000, -0.0001703900000000, 0.0000182000000000 ] - [ 0.0000419200000000, -0.0000709300000000, 0.0000459500000000 ] - [ -0.0000016200000000, 0.0000740700000000, -0.0000127900000000 ] - [ -0.0000101300000000, 0.0000410200000000, 0.0000342800000000 ] - [ 0.0000078200000000, -0.0000748100000000, -0.0000251300000000 ] - [ 0.0000055800000000, -0.0000390700000000, 0.0000204500000000 ] - [ 0.0006250600000000, -0.0002385600000000, -0.0005549900000000 ] - [ -0.0001671500000000, -0.0000108300000000, -0.0000489100000000 ] - [ 0.0000584400000000, -0.0003666800000000, 0.0003170800000000 ] - [ -0.0000605400000000, -0.0000507600000000, 0.0000433600000000 ] - [ 0.0000664000000000, 0.0000167600000000, 0.0000226600000000 ] - [ -0.0000651600000000, -0.0000023900000000, 0.0000228500000000 ] - [ 0.0000252100000000, -0.0000105800000000, -0.0000353900000000 ] - [ -0.0000262800000000, -0.0000031300000000, -0.0000289200000000 ] - [ -0.0246526300000000, 0.0077634400000000, 0.0000000000000000 ] - [ -0.0020802000000000, 0.0345751300000000, 0.0000000000000000 ] - [ -0.0021621900000000, 0.0351594700000000, 0.0000000000000000 ] - [ -0.0021121700000000, 0.0349749100000000, 0.0000000000000000 ] - [ -0.0023308300000000, 0.0348073000000000, 0.0000000000000000 ] - [ -0.0022469200000000, 0.0348537700000000, 0.0000000000000000 ] - [ -0.0022570100000000, 0.0348720900000000, 0.0000000000000000 ] - [ -0.0021947300000000, 0.0349001300000000, 0.0000000000000000 ] - [ 0.0077011500000000, -0.0308873600000000, 0.0000000000000000 ] - [ 0.0016759800000000, -0.0348395400000000, 0.0000000000000000 ] - [ 0.0021284400000000, -0.0351001700000000, 0.0000000000000000 ] - [ 0.0023854300000000, -0.0347551800000000, 0.0000000000000000 ] - [ 0.0021968700000000, -0.0348992200000000, 0.0000000000000000 ] - [ 0.0022565900000000, -0.0348697000000000, 0.0000000000000000 ] - [ 0.0022476700000000, -0.0348556500000000, 0.0000000000000000 ] - [ 0.0023281300000000, -0.0348085600000000, 0.0000000000000000 ] - [ 0.0003548300000000, 0.0004007300000000, 0.0017447400000000 ] - [ -0.0000125000000000, -0.0000395100000000, 0.0002026800000000 ] - [ -0.0000227100000000, 0.0000254500000000, 0.0001024900000000 ] - [ 0.0000248700000000, 0.0000529700000000, -0.0001722500000000 ] - [ -0.0000037100000000, -0.0000238700000000, -0.0002866000000000 ] - [ 0.0000024600000000, -0.0000092900000000, 0.0002212200000000 ] - [ -0.0000058200000000, 0.0000096300000000, 0.0002836800000000 ] - [ 0.0000069200000000, 0.0000129600000000, 0.0004432400000000 ] - [ -0.0000645800000000, -0.0005218500000000, -0.0014951700000000 ] - [ 0.0000899900000000, -0.0000996800000000, -0.0002219000000000 ] - [ -0.0000240000000000, 0.0000667200000000, -0.0001180700000000 ] - [ 0.0000258300000000, 0.0000394900000000, -0.0002037400000000 ] - [ -0.0000138800000000, -0.0000159600000000, -0.0002033700000000 ] - [ 0.0000125000000000, -0.0000165900000000, -0.0002076300000000 ] - [ -0.0000125600000000, 0.0000172800000000, -0.0002105700000000 ] - [ 0.0000142400000000, 0.0000153800000000, -0.0002098300000000 ] - [ 0.0003548300000000, 0.0004007300000000, -0.0017447400000000 ] - [ -0.0000125000000000, -0.0000395100000000, -0.0002026800000000 ] - [ -0.0000227100000000, 0.0000254500000000, -0.0001024900000000 ] - [ 0.0000248700000000, 0.0000529700000000, 0.0001722500000000 ] - [ -0.0000037100000000, -0.0000238700000000, 0.0002866000000000 ] - [ 0.0000024600000000, -0.0000092900000000, -0.0002212200000000 ] - [ -0.0000058200000000, 0.0000096300000000, -0.0002836800000000 ] - [ 0.0000069200000000, 0.0000129600000000, -0.0004432400000000 ] - [ -0.0000645800000000, -0.0005218500000000, 0.0014951700000000 ] - [ 0.0000899900000000, -0.0000996800000000, 0.0002219000000000 ] - [ -0.0000240000000000, 0.0000667200000000, 0.0001180700000000 ] - [ 0.0000258300000000, 0.0000394900000000, 0.0002037400000000 ] - [ -0.0000138800000000, -0.0000159600000000, 0.0002033700000000 ] - [ 0.0000125000000000, -0.0000165900000000, 0.0002076300000000 ] - [ -0.0000125600000000, 0.0000172800000000, 0.0002105700000000 ] - [ 0.0000142400000000, 0.0000153800000000, 0.0002098300000000 ] - [ -0.0349579100000000, 0.0020600900000000, 0.0000239100000000 ] - [ -0.0348490600000000, 0.0021985400000000, -0.0000329900000000 ] - [ -0.0348495500000000, 0.0023152100000000, -0.0000018500000000 ] - [ -0.0348084800000000, 0.0023499900000000, -0.0000364100000000 ] - [ -0.0349579100000000, 0.0020600900000000, -0.0000239100000000 ] - [ -0.0348490600000000, 0.0021985400000000, 0.0000329900000000 ] - [ -0.0348495500000000, 0.0023152100000000, 0.0000018500000000 ] - [ -0.0348084800000000, 0.0023499900000000, 0.0000364100000000 ] - [ -0.0022326300000000, -0.0349243000000000, 0.0000012200000000 ] - [ -0.0021789400000000, -0.0349241800000000, 0.0000439900000000 ] - [ -0.0022965700000000, -0.0348099800000000, -0.0000262800000000 ] - [ -0.0022950700000000, -0.0348099600000000, -0.0000179400000000 ] - [ -0.0022326300000000, -0.0349243000000000, -0.0000012200000000 ] - [ -0.0021789400000000, -0.0349241800000000, -0.0000439900000000 ] - [ -0.0022965700000000, -0.0348099800000000, 0.0000262800000000 ] - [ -0.0022950700000000, -0.0348099600000000, 0.0000179400000000 ] - [ 0.0021897900000000, 0.0348883800000000, -0.0000423100000000 ] - [ 0.0022897300000000, 0.0348466200000000, -0.0000216200000000 ] - [ 0.0022317800000000, 0.0348888400000000, 0.0000523800000000 ] - [ 0.0022972700000000, 0.0348471000000000, 0.0000061000000000 ] - [ 0.0021897900000000, 0.0348883800000000, 0.0000423100000000 ] - [ 0.0022897300000000, 0.0348466200000000, 0.0000216200000000 ] - [ 0.0022317800000000, 0.0348888400000000, -0.0000523800000000 ] - [ 0.0022972700000000, 0.0348471000000000, -0.0000061000000000 ] - [ -0.0364861400000000, -0.0051154000000000, 0.0000000000000000 ] - [ -0.0329822700000000, -0.0028541600000000, 0.0000000000000000 ] - [ -0.0355704300000000, -0.0007258900000000, 0.0000000000000000 ] - [ -0.0348579000000000, -0.0021379200000000, 0.0000000000000000 ] - [ -0.0348617900000000, -0.0022717900000000, 0.0000000000000000 ] - [ -0.0348108000000000, -0.0023314400000000, 0.0000000000000000 ] - [ -0.0348993800000000, -0.0021904300000000, 0.0000000000000000 ] - [ -0.0348635600000000, -0.0022335800000000, 0.0000000000000000 ] - [ 0.0365209600000000, 0.0049030100000000, 0.0000000000000000 ] - [ 0.0355753600000000, 0.0014442600000000, 0.0000000000000000 ] - [ 0.0329934700000000, 0.0052121700000000, 0.0000000000000000 ] - [ 0.0348586900000000, 0.0023565200000000, 0.0000000000000000 ] - [ 0.0348617800000000, 0.0022373100000000, 0.0000000000000000 ] - [ 0.0348994300000000, 0.0021935300000000, 0.0000000000000000 ] - [ 0.0348108500000000, 0.0023284800000000, 0.0000000000000000 ] - [ 0.0348637200000000, 0.0022685400000000, 0.0000000000000000 ] - [ 0.0348960800000000, -0.0021897500000000, -0.0000681600000000 ] - [ 0.0348612000000000, -0.0022495900000000, -0.0000225400000000 ] - [ 0.0348194200000000, -0.0022898500000000, 0.0000088900000000 ] - [ 0.0348965800000000, -0.0021884500000000, 0.0001242300000000 ] - [ 0.0348960800000000, -0.0021897500000000, 0.0000681600000000 ] - [ 0.0348612000000000, -0.0022495900000000, 0.0000225400000000 ] - [ 0.0348194200000000, -0.0022898500000000, -0.0000088900000000 ] - [ 0.0348965800000000, -0.0021884500000000, -0.0001242300000000 ] - [ 0.0161842000000000, 0.0182746500000000, 0.0000000000000000 ] - [ -0.0009171700000000, 0.0021592100000000, 0.0000000000000000 ] - [ 0.0021355300000000, -0.0024078200000000, 0.0000000000000000 ] - [ -0.0002144400000000, -0.0003547700000000, 0.0000000000000000 ] - [ 0.0001067700000000, 0.0000947200000000, 0.0000000000000000 ] - [ -0.0000726000000000, 0.0001225900000000, 0.0000000000000000 ] - [ 0.0000725300000000, -0.0001213900000000, 0.0000000000000000 ] - [ -0.0001050300000000, -0.0000937000000000, 0.0000000000000000 ] - [ 0.0001892000000000, 0.0003946700000000, -0.0012876600000000 ] - [ -0.0000252100000000, 0.0001266600000000, 0.0000110000000000 ] - [ 0.0000682400000000, -0.0001023400000000, 0.0001774600000000 ] - [ -0.0000425000000000, -0.0000891300000000, 0.0005377500000000 ] - [ 0.0001892000000000, 0.0003946700000000, 0.0012876600000000 ] - [ -0.0000252100000000, 0.0001266600000000, -0.0000110000000000 ] - [ 0.0000682400000000, -0.0001023400000000, -0.0001774600000000 ] - [ -0.0000425000000000, -0.0000891300000000, -0.0005377500000000 ]- atom: 33 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0007564900000000, -0.0014800300000000, 0.0019962200000000 ] - [ 0.0003256300000000, -0.0003490700000000, -0.0004973200000000 ] - [ 0.0000405600000000, 0.0001713500000000, 0.0000196700000000 ] - [ -0.0000438300000000, 0.0000710800000000, 0.0000477000000000 ] - [ 0.0000015400000000, -0.0000745100000000, -0.0000124400000000 ] - [ 0.0000101500000000, -0.0000409500000000, 0.0000345600000000 ] - [ -0.0000078300000000, 0.0000756700000000, -0.0000252700000000 ] - [ -0.0000056900000000, 0.0000394100000000, 0.0000204800000000 ] - [ -0.0006275900000000, 0.0002346500000000, -0.0005576600000000 ] - [ 0.0001679300000000, 0.0000103800000000, -0.0000490900000000 ] - [ -0.0000580600000000, 0.0003722200000000, 0.0003144600000000 ] - [ 0.0000598600000000, 0.0000523800000000, 0.0000442800000000 ] - [ -0.0000670200000000, -0.0000169600000000, 0.0000226600000000 ] - [ 0.0000656600000000, 0.0000025300000000, 0.0000229800000000 ] - [ -0.0000250000000000, 0.0000110400000000, -0.0000356500000000 ] - [ 0.0000260500000000, 0.0000034000000000, -0.0000291400000000 ] - [ 0.0007564900000000, -0.0014800300000000, -0.0019962200000000 ] - [ 0.0003256300000000, -0.0003490700000000, 0.0004973200000000 ] - [ 0.0000405600000000, 0.0001713500000000, -0.0000196700000000 ] - [ -0.0000438300000000, 0.0000710800000000, -0.0000477000000000 ] - [ 0.0000015400000000, -0.0000745100000000, 0.0000124400000000 ] - [ 0.0000101500000000, -0.0000409500000000, -0.0000345600000000 ] - [ -0.0000078300000000, 0.0000756700000000, 0.0000252700000000 ] - [ -0.0000056900000000, 0.0000394100000000, -0.0000204800000000 ] - [ -0.0006275900000000, 0.0002346500000000, 0.0005576600000000 ] - [ 0.0001679300000000, 0.0000103800000000, 0.0000490900000000 ] - [ -0.0000580600000000, 0.0003722200000000, -0.0003144600000000 ] - [ 0.0000598600000000, 0.0000523800000000, -0.0000442800000000 ] - [ -0.0000670200000000, -0.0000169600000000, -0.0000226600000000 ] - [ 0.0000656600000000, 0.0000025300000000, -0.0000229800000000 ] - [ -0.0000250000000000, 0.0000110400000000, 0.0000356500000000 ] - [ 0.0000260500000000, 0.0000034000000000, 0.0000291400000000 ] - [ 0.0196362600000000, 0.0617165200000000, 0.0000000000000000 ] - [ -0.0024344000000000, 0.0351467000000000, 0.0000000000000000 ] - [ -0.0023543000000000, 0.0345574000000000, 0.0000000000000000 ] - [ -0.0024029000000000, 0.0347428700000000, 0.0000000000000000 ] - [ -0.0021836300000000, 0.0349111500000000, 0.0000000000000000 ] - [ -0.0022678500000000, 0.0348643800000000, 0.0000000000000000 ] - [ -0.0022579100000000, 0.0348457600000000, 0.0000000000000000 ] - [ -0.0023203700000000, 0.0348176000000000, 0.0000000000000000 ] - [ -0.0031764100000000, -0.0388333900000000, 0.0000000000000000 ] - [ 0.0028399200000000, -0.0348722600000000, 0.0000000000000000 ] - [ 0.0023890800000000, -0.0346126600000000, 0.0000000000000000 ] - [ 0.0021293800000000, -0.0349619100000000, 0.0000000000000000 ] - [ 0.0023183500000000, -0.0348182100000000, 0.0000000000000000 ] - [ 0.0022582300000000, -0.0348479400000000, 0.0000000000000000 ] - [ 0.0022670400000000, -0.0348620600000000, 0.0000000000000000 ] - [ 0.0021862000000000, -0.0349094500000000, 0.0000000000000000 ] - [ -0.0003585200000000, -0.0004004900000000, -0.0013414200000000 ] - [ 0.0000125100000000, 0.0000403400000000, 0.0002189400000000 ] - [ 0.0000226500000000, -0.0000268400000000, 0.0003204400000000 ] - [ -0.0000252800000000, -0.0000538000000000, 0.0005941700000000 ] - [ 0.0000035900000000, 0.0000244900000000, 0.0007141500000000 ] - [ -0.0000025100000000, 0.0000097100000000, 0.0002003200000000 ] - [ 0.0000058400000000, -0.0000097500000000, 0.0001369100000000 ] - [ -0.0000070000000000, -0.0000130200000000, -0.0000216500000000 ] - [ 0.0000644200000000, 0.0005190700000000, 0.0010778800000000 ] - [ -0.0000887900000000, 0.0001007500000000, -0.0001992900000000 ] - [ 0.0000235900000000, -0.0000660100000000, -0.0003063900000000 ] - [ -0.0000259000000000, -0.0000394500000000, -0.0002179700000000 ] - [ 0.0000138400000000, 0.0000162900000000, -0.0002183300000000 ] - [ -0.0000125000000000, 0.0000169000000000, -0.0002138700000000 ] - [ 0.0000125900000000, -0.0000173400000000, -0.0002109400000000 ] - [ -0.0000143000000000, -0.0000153100000000, -0.0002114600000000 ] - [ -0.0003585200000000, -0.0004004900000000, 0.0013414200000000 ] - [ 0.0000125100000000, 0.0000403400000000, -0.0002189400000000 ] - [ 0.0000226500000000, -0.0000268400000000, -0.0003204400000000 ] - [ -0.0000252800000000, -0.0000538000000000, -0.0005941700000000 ] - [ 0.0000035900000000, 0.0000244900000000, -0.0007141500000000 ] - [ -0.0000025100000000, 0.0000097100000000, -0.0002003200000000 ] - [ 0.0000058400000000, -0.0000097500000000, -0.0001369100000000 ] - [ -0.0000070000000000, -0.0000130200000000, 0.0000216500000000 ] - [ 0.0000644200000000, 0.0005190700000000, -0.0010778800000000 ] - [ -0.0000887900000000, 0.0001007500000000, 0.0001992900000000 ] - [ 0.0000235900000000, -0.0000660100000000, 0.0003063900000000 ] - [ -0.0000259000000000, -0.0000394500000000, 0.0002179700000000 ] - [ 0.0000138400000000, 0.0000162900000000, 0.0002183300000000 ] - [ -0.0000125000000000, 0.0000169000000000, 0.0002138700000000 ] - [ 0.0000125900000000, -0.0000173400000000, 0.0002109400000000 ] - [ -0.0000143000000000, -0.0000153100000000, 0.0002114600000000 ] - [ -0.0347581900000000, 0.0024588500000000, -0.0000219600000000 ] - [ -0.0348684800000000, 0.0023173600000000, 0.0000332600000000 ] - [ -0.0348690400000000, 0.0021981500000000, 0.0000018400000000 ] - [ -0.0349097400000000, 0.0021641500000000, 0.0000364200000000 ] - [ -0.0347581900000000, 0.0024588500000000, 0.0000219600000000 ] - [ -0.0348684800000000, 0.0023173600000000, -0.0000332600000000 ] - [ -0.0348690400000000, 0.0021981500000000, -0.0000018400000000 ] - [ -0.0349097400000000, 0.0021641500000000, -0.0000364200000000 ] - [ -0.0022829900000000, -0.0347924400000000, -0.0000010600000000 ] - [ -0.0023370100000000, -0.0347923000000000, -0.0000439700000000 ] - [ -0.0022174500000000, -0.0349084300000000, 0.0000260900000000 ] - [ -0.0022190700000000, -0.0349084200000000, 0.0000180800000000 ] - [ -0.0022829900000000, -0.0347924400000000, 0.0000010600000000 ] - [ -0.0023370100000000, -0.0347923000000000, 0.0000439700000000 ] - [ -0.0022174500000000, -0.0349084300000000, -0.0000260900000000 ] - [ -0.0022190700000000, -0.0349084200000000, -0.0000180800000000 ] - [ 0.0023257700000000, 0.0348288200000000, 0.0000428600000000 ] - [ 0.0022255300000000, 0.0348709300000000, 0.0000216200000000 ] - [ 0.0022826100000000, 0.0348293800000000, -0.0000525300000000 ] - [ 0.0022170300000000, 0.0348713200000000, -0.0000060800000000 ] - [ 0.0023257700000000, 0.0348288200000000, -0.0000428600000000 ] - [ 0.0022255300000000, 0.0348709300000000, -0.0000216200000000 ] - [ 0.0022826100000000, 0.0348293800000000, 0.0000525300000000 ] - [ 0.0022170300000000, 0.0348713200000000, 0.0000060800000000 ] - [ -0.0332250600000000, 0.0005909700000000, 0.0000000000000000 ] - [ -0.0367483900000000, -0.0016409300000000, 0.0000000000000000 ] - [ -0.0341298000000000, -0.0038185600000000, 0.0000000000000000 ] - [ -0.0348594500000000, -0.0023779600000000, 0.0000000000000000 ] - [ -0.0348560700000000, -0.0022426100000000, 0.0000000000000000 ] - [ -0.0349074800000000, -0.0021823400000000, 0.0000000000000000 ] - [ -0.0348183500000000, -0.0023245900000000, 0.0000000000000000 ] - [ -0.0348542400000000, -0.0022812500000000, 0.0000000000000000 ] - [ 0.0332591800000000, -0.0002989800000000, 0.0000000000000000 ] - [ 0.0341348700000000, 0.0030726800000000, 0.0000000000000000 ] - [ 0.0367598900000000, -0.0007573400000000, 0.0000000000000000 ] - [ 0.0348599900000000, 0.0021579900000000, 0.0000000000000000 ] - [ 0.0348558600000000, 0.0022779300000000, 0.0000000000000000 ] - [ 0.0348182600000000, 0.0023217200000000, 0.0000000000000000 ] - [ 0.0349073600000000, 0.0021859600000000, 0.0000000000000000 ] - [ 0.0348541700000000, 0.0022464400000000, 0.0000000000000000 ] - [ 0.0348208300000000, -0.0023263000000000, 0.0000687600000000 ] - [ 0.0348564100000000, -0.0022667500000000, 0.0000237200000000 ] - [ 0.0348990400000000, -0.0022238500000000, -0.0000090700000000 ] - [ 0.0348212600000000, -0.0023260600000000, -0.0001254600000000 ] - [ 0.0348208300000000, -0.0023263000000000, -0.0000687600000000 ] - [ 0.0348564100000000, -0.0022667500000000, -0.0000237200000000 ] - [ 0.0348990400000000, -0.0022238500000000, 0.0000090700000000 ] - [ 0.0348212600000000, -0.0023260600000000, 0.0001254600000000 ] - [ -0.0157026900000000, -0.0180734900000000, 0.0000000000000000 ] - [ 0.0009075300000000, -0.0021857700000000, 0.0000000000000000 ] - [ -0.0021671600000000, 0.0024315100000000, 0.0000000000000000 ] - [ 0.0002131300000000, 0.0003571900000000, 0.0000000000000000 ] - [ -0.0001072500000000, -0.0000953000000000, 0.0000000000000000 ] - [ 0.0000729500000000, -0.0001233400000000, 0.0000000000000000 ] - [ -0.0000728100000000, 0.0001224300000000, 0.0000000000000000 ] - [ 0.0001056000000000, 0.0000944500000000, 0.0000000000000000 ] - [ -0.0001926600000000, -0.0004025500000000, 0.0012981000000000 ] - [ 0.0000255900000000, -0.0001289800000000, -0.0000109200000000 ] - [ -0.0000682400000000, 0.0001062900000000, -0.0001795800000000 ] - [ 0.0000423500000000, 0.0000920600000000, -0.0005373300000000 ] - [ -0.0001926600000000, -0.0004025500000000, -0.0012981000000000 ] - [ 0.0000255900000000, -0.0001289800000000, 0.0000109200000000 ] - [ -0.0000682400000000, 0.0001062900000000, 0.0001795800000000 ] - [ 0.0000423500000000, 0.0000920600000000, 0.0005373300000000 ]- atom: 33 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0006783000000000, -0.0011691400000000, 0.0022307700000000 ] - [ 0.0001877900000000, -0.0000350900000000, 0.0000834500000000 ] - [ 0.0000089700000000, -0.0000532400000000, 0.0000860800000000 ] - [ 0.0000017800000000, -0.0000005900000000, 0.0000483100000000 ] - [ 0.0000103000000000, -0.0000235000000000, -0.0001093100000000 ] - [ -0.0000113600000000, 0.0000069600000000, -0.0000658200000000 ] - [ -0.0000039500000000, 0.0000219700000000, -0.0000789600000000 ] - [ 0.0000009500000000, -0.0000012200000000, -0.0000483700000000 ] - [ -0.0004276700000000, 0.0005230100000000, -0.0002620400000000 ] - [ 0.0000758900000000, 0.0000126200000000, 0.0000719800000000 ] - [ -0.0000007100000000, -0.0001761100000000, 0.0000864700000000 ] - [ 0.0000199200000000, -0.0000106700000000, 0.0000633300000000 ] - [ 0.0000324300000000, -0.0000107400000000, -0.0000849400000000 ] - [ -0.0000309200000000, -0.0000038400000000, -0.0000715300000000 ] - [ 0.0000097300000000, 0.0000113700000000, -0.0000674500000000 ] - [ -0.0000140200000000, 0.0000051100000000, -0.0000608300000000 ] - [ -0.0007330400000000, 0.0012266100000000, 0.0023210300000000 ] - [ -0.0001858900000000, 0.0000323900000000, 0.0000896600000000 ] - [ -0.0000094800000000, 0.0000537700000000, 0.0000867100000000 ] - [ -0.0000012700000000, 0.0000011700000000, 0.0000487800000000 ] - [ -0.0000102000000000, 0.0000234800000000, -0.0001086400000000 ] - [ 0.0000113200000000, -0.0000070500000000, -0.0000658600000000 ] - [ 0.0000040000000000, -0.0000217800000000, -0.0000786200000000 ] - [ -0.0000008800000000, 0.0000015700000000, -0.0000487600000000 ] - [ 0.0004248400000000, -0.0005209900000000, -0.0002629700000000 ] - [ -0.0000747500000000, -0.0000117300000000, 0.0000729300000000 ] - [ -0.0000006500000000, 0.0001767500000000, 0.0000825500000000 ] - [ -0.0000189400000000, 0.0000106600000000, 0.0000627900000000 ] - [ -0.0000328500000000, 0.0000108100000000, -0.0000851300000000 ] - [ 0.0000312700000000, 0.0000040300000000, -0.0000718500000000 ] - [ -0.0000100400000000, -0.0000114400000000, -0.0000674800000000 ] - [ 0.0000143400000000, -0.0000051500000000, -0.0000609300000000 ] - [ -0.0021596200000000, 0.0348111300000000, -0.0124713500000000 ] - [ -0.0022598100000000, 0.0348588800000000, -0.0000466000000000 ] - [ -0.0022562400000000, 0.0348589200000000, -0.0000132800000000 ] - [ -0.0022574500000000, 0.0348590700000000, -0.0000278600000000 ] - [ -0.0022567800000000, 0.0348593300000000, 0.0000430400000000 ] - [ -0.0022568400000000, 0.0348592900000000, 0.0000281700000000 ] - [ -0.0022565600000000, 0.0348592900000000, 0.0000298800000000 ] - [ -0.0022568300000000, 0.0348591300000000, 0.0000268600000000 ] - [ 0.0022274900000000, -0.0348740900000000, -0.0002130800000000 ] - [ 0.0022575200000000, -0.0348582500000000, -0.0002931700000000 ] - [ 0.0022562100000000, -0.0348591000000000, -0.0000432900000000 ] - [ 0.0022561000000000, -0.0348597600000000, -0.0000582000000000 ] - [ 0.0022571600000000, -0.0348590500000000, 0.0000306000000000 ] - [ 0.0022566800000000, -0.0348592600000000, 0.0000341200000000 ] - [ 0.0022566600000000, -0.0348592100000000, 0.0000234500000000 ] - [ 0.0022566400000000, -0.0348592600000000, 0.0000343900000000 ] - [ 0.0005425400000000, 0.0007948300000000, 0.0013322400000000 ] - [ -0.0000250700000000, 0.0000135600000000, 0.0001905300000000 ] - [ 0.0000156400000000, -0.0001007500000000, 0.0002438700000000 ] - [ -0.0000134300000000, -0.0000070400000000, 0.0001837900000000 ] - [ -0.0000073200000000, -0.0000061500000000, 0.0004704000000000 ] - [ 0.0000071100000000, -0.0000060300000000, 0.0002475800000000 ] - [ -0.0000021700000000, 0.0000171500000000, 0.0002871700000000 ] - [ 0.0000133700000000, 0.0000248100000000, 0.0002576000000000 ] - [ -0.0031702500000000, -0.0020127600000000, -0.0009086400000000 ] - [ 0.0000742800000000, -0.0000256000000000, -0.0004258900000000 ] - [ 0.0000089900000000, 0.0000041500000000, -0.0003352400000000 ] - [ 0.0000060900000000, 0.0000043700000000, -0.0003293800000000 ] - [ 0.0000045500000000, 0.0000031000000000, -0.0000599300000000 ] - [ -0.0000044400000000, 0.0000006500000000, -0.0000864700000000 ] - [ 0.0000033000000000, -0.0000015900000000, -0.0001002700000000 ] - [ -0.0000040600000000, -0.0000024200000000, -0.0000956600000000 ] - [ -0.0005543400000000, -0.0008098600000000, 0.0009273600000000 ] - [ 0.0000250700000000, -0.0000134000000000, -0.0002297300000000 ] - [ -0.0000153900000000, 0.0001017700000000, -0.0001761900000000 ] - [ 0.0000130700000000, 0.0000069600000000, -0.0002397500000000 ] - [ 0.0000072200000000, 0.0000062500000000, 0.0000494200000000 ] - [ -0.0000070800000000, 0.0000061900000000, -0.0001716700000000 ] - [ 0.0000023900000000, -0.0000170100000000, -0.0001322500000000 ] - [ -0.0000133400000000, -0.0000245400000000, -0.0001598600000000 ] - [ 0.0032277000000000, 0.0020513900000000, -0.0004616100000000 ] - [ -0.0000758900000000, 0.0000264400000000, -0.0000060500000000 ] - [ -0.0000086100000000, -0.0000047500000000, 0.0000836000000000 ] - [ -0.0000062900000000, -0.0000045500000000, 0.0000900900000000 ] - [ -0.0000045400000000, -0.0000028700000000, 0.0003596300000000 ] - [ 0.0000044800000000, -0.0000004900000000, 0.0003328000000000 ] - [ -0.0000032000000000, 0.0000014400000000, 0.0003193100000000 ] - [ 0.0000040700000000, 0.0000024500000000, 0.0003233900000000 ] - [ -0.0348358900000000, 0.0023580500000000, 0.0001721800000000 ] - [ -0.0348610800000000, 0.0022632200000000, 0.0000107800000000 ] - [ -0.0348919000000000, 0.0022009100000000, 0.0000107600000000 ] - [ -0.0348956000000000, 0.0021923400000000, 0.0000038900000000 ] - [ -0.0348818300000000, 0.0021551900000000, 0.0001726800000000 ] - [ -0.0348574000000000, 0.0022505200000000, 0.0000105700000000 ] - [ -0.0348257600000000, 0.0023132700000000, 0.0000106100000000 ] - [ -0.0348227600000000, 0.0023213700000000, 0.0000033900000000 ] - [ -0.0023240500000000, -0.0348151800000000, 0.0000489900000000 ] - [ -0.0022138400000000, -0.0348580500000000, 0.0000487900000000 ] - [ -0.0022516300000000, -0.0348770600000000, 0.0000079300000000 ] - [ -0.0022060200000000, -0.0348852600000000, 0.0000077500000000 ] - [ -0.0021891300000000, -0.0349032500000000, 0.0000491800000000 ] - [ -0.0022997000000000, -0.0348603200000000, 0.0000493500000000 ] - [ -0.0022619700000000, -0.0348412500000000, 0.0000074700000000 ] - [ -0.0023077600000000, -0.0348329100000000, 0.0000077400000000 ] - [ 0.0022870800000000, 0.0348069900000000, 0.0000403500000000 ] - [ 0.0022446400000000, 0.0348532500000000, 0.0000013900000000 ] - [ 0.0022372100000000, 0.0349015100000000, 0.0000402900000000 ] - [ 0.0022260900000000, 0.0348808700000000, 0.0000013600000000 ] - [ 0.0022266500000000, 0.0349119400000000, 0.0000402400000000 ] - [ 0.0022684300000000, 0.0348654900000000, 0.0000012300000000 ] - [ 0.0022766800000000, 0.0348163300000000, 0.0000403600000000 ] - [ 0.0022874100000000, 0.0348376100000000, 0.0000013900000000 ] - [ -0.0348651000000000, -0.0022515500000000, -0.0006091000000000 ] - [ -0.0348661900000000, -0.0022494800000000, -0.0002289700000000 ] - [ -0.0348573200000000, -0.0022589100000000, -0.0000574700000000 ] - [ -0.0348591500000000, -0.0022571200000000, -0.0000301800000000 ] - [ -0.0348591500000000, -0.0022566200000000, 0.0000308500000000 ] - [ -0.0348592800000000, -0.0022564300000000, 0.0000345800000000 ] - [ -0.0348591900000000, -0.0022568800000000, 0.0000269200000000 ] - [ -0.0348593200000000, -0.0022566200000000, 0.0000271400000000 ] - [ 0.0348630400000000, 0.0022508100000000, -0.0006090100000000 ] - [ 0.0348527000000000, 0.0022605300000000, -0.0000574400000000 ] - [ 0.0348586300000000, 0.0022579500000000, -0.0002288100000000 ] - [ 0.0348590600000000, 0.0022563800000000, -0.0000302400000000 ] - [ 0.0348592500000000, 0.0022567900000000, 0.0000307500000000 ] - [ 0.0348591400000000, 0.0022569200000000, 0.0000269200000000 ] - [ 0.0348593800000000, 0.0022566400000000, 0.0000345400000000 ] - [ 0.0348593600000000, 0.0022568200000000, 0.0000271300000000 ] - [ 0.0347348100000000, -0.0024048500000000, 0.0000932400000000 ] - [ 0.0348822000000000, -0.0024017200000000, 0.0001410900000000 ] - [ 0.0348502900000000, -0.0022386300000000, 0.0000072700000000 ] - [ 0.0349273300000000, -0.0021287800000000, 0.0000927700000000 ] - [ 0.0349845600000000, -0.0021072000000000, 0.0000932200000000 ] - [ 0.0348360400000000, -0.0021101600000000, 0.0001428200000000 ] - [ 0.0348681200000000, -0.0022751000000000, 0.0000070400000000 ] - [ 0.0347906400000000, -0.0023856200000000, 0.0000937900000000 ] - [ -0.0000471900000000, -0.0000252600000000, 0.0092645100000000 ] - [ 0.0000093000000000, -0.0000124000000000, 0.0004678600000000 ] - [ -0.0000021300000000, 0.0000041300000000, 0.0001671400000000 ] - [ 0.0000011100000000, 0.0000015500000000, 0.0002183400000000 ] - [ -0.0000002000000000, -0.0000001400000000, -0.0002777800000000 ] - [ 0.0000003400000000, -0.0000001600000000, -0.0002265400000000 ] - [ -0.0000001800000000, 0.0000002600000000, -0.0001994000000000 ] - [ 0.0000002500000000, 0.0000000500000000, -0.0002074800000000 ] - [ -0.0000129100000000, -0.0000731900000000, -0.0006597700000000 ] - [ 0.0001077000000000, -0.0000896500000000, -0.0000295800000000 ] - [ -0.0000112800000000, 0.0002374100000000, -0.0001307800000000 ] - [ 0.0001177700000000, 0.0002107400000000, -0.0000083600000000 ] - [ 0.0000115200000000, 0.0000734200000000, -0.0006633900000000 ] - [ -0.0001081100000000, 0.0000900800000000, -0.0000285700000000 ] - [ 0.0000107700000000, -0.0002394700000000, -0.0001305000000000 ] - [ -0.0001184700000000, -0.0002128600000000, -0.0000024500000000 ]- atom: 49 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0004317000000000, -0.0000203500000000, -0.0000022200000000 ] - [ -0.0001124100000000, 0.0000017600000000, 0.0000004600000000 ] - [ 0.0004320100000000, -0.0000153000000000, 0.0000061200000000 ] - [ -0.0001123500000000, 0.0000023600000000, 0.0000004000000000 ] - [ 0.0000206700000000, -0.0000014400000000, -0.0000005800000000 ] - [ -0.0000213300000000, 0.0000017900000000, -0.0000007300000000 ] - [ 0.0000207500000000, -0.0000016700000000, -0.0000006900000000 ] - [ -0.0000212200000000, 0.0000017900000000, 0.0000000000000000 ] - [ -0.0000109100000000, -0.0000080600000000, -0.0000606300000000 ] - [ -0.0000108000000000, -0.0000081800000000, 0.0000594900000000 ] - [ -0.0000000600000000, 0.0000016300000000, -0.0000279200000000 ] - [ -0.0000002100000000, 0.0000016300000000, 0.0000272400000000 ] - [ -0.0000818200000000, -0.0000801600000000, 0.0001613200000000 ] - [ -0.0000866600000000, -0.0000794900000000, -0.0001600700000000 ] - [ 0.0000005200000000, 0.0000053000000000, -0.0000034300000000 ] - [ 0.0000003600000000, 0.0000052400000000, 0.0000043200000000 ] - [ 0.0000691900000000, -0.0000027700000000, -0.0000026700000000 ] - [ -0.0000566000000000, 0.0000011500000000, -0.0000021700000000 ] - [ 0.0000690100000000, -0.0000024800000000, 0.0000017700000000 ] - [ -0.0000564700000000, 0.0000012700000000, 0.0000013100000000 ] - [ 0.0001586400000000, -0.0000036400000000, 0.0000510700000000 ] - [ -0.0000515400000000, -0.0000012300000000, 0.0000036200000000 ] - [ 0.0001591700000000, -0.0000083900000000, -0.0000503500000000 ] - [ -0.0000516700000000, -0.0000008900000000, -0.0000025200000000 ] - [ 0.0000539600000000, -0.0000343000000000, -0.0002857900000000 ] - [ -0.0000113400000000, -0.0000336000000000, 0.0002849400000000 ] - [ 0.0000019100000000, -0.0000017300000000, 0.0000253000000000 ] - [ 0.0000018800000000, -0.0000015100000000, -0.0000243300000000 ] - [ -0.0000005500000000, -0.0000020300000000, 0.0000090000000000 ] - [ -0.0000008400000000, -0.0000021000000000, -0.0000102200000000 ] - [ 0.0000013100000000, 0.0000022700000000, 0.0000076300000000 ] - [ 0.0000012700000000, 0.0000022500000000, -0.0000084300000000 ] - [ -0.0021781200000000, 0.0352177600000000, 0.0005504900000000 ] - [ -0.0022242200000000, 0.0348470900000000, -0.0000244800000000 ] - [ -0.0022865100000000, 0.0348363400000000, 0.0000159900000000 ] - [ -0.0022090000000000, 0.0348837700000000, -0.0000126500000000 ] - [ -0.0022643900000000, 0.0348543900000000, -0.0000062500000000 ] - [ -0.0022421800000000, 0.0348618700000000, 0.0000075900000000 ] - [ -0.0022774400000000, 0.0348535000000000, -0.0000017400000000 ] - [ -0.0022403700000000, 0.0348667100000000, 0.0000138400000000 ] - [ 0.0023063900000000, -0.0348333600000000, 0.0000130900000000 ] - [ 0.0022274000000000, -0.0348819400000000, -0.0000159000000000 ] - [ 0.0022891300000000, -0.0348723000000000, 0.0000249300000000 ] - [ 0.0023327700000000, -0.0345044800000000, -0.0005473200000000 ] - [ 0.0022715600000000, -0.0348528900000000, -0.0000137800000000 ] - [ 0.0022359500000000, -0.0348654200000000, 0.0000020200000000 ] - [ 0.0022705600000000, -0.0348569500000000, -0.0000074000000000 ] - [ 0.0022525100000000, -0.0348618200000000, 0.0000075700000000 ] - [ -0.0089437900000000, 0.0000001000000000, 0.0001674400000000 ] - [ 0.0002156900000000, 0.0000056800000000, 0.0002081300000000 ] - [ -0.0000235000000000, -0.0000062100000000, 0.0002089600000000 ] - [ 0.0000227600000000, -0.0000001300000000, 0.0002089900000000 ] - [ -0.0000100800000000, -0.0000001000000000, 0.0002110600000000 ] - [ 0.0000087200000000, 0.0000008700000000, 0.0002106500000000 ] - [ -0.0000085200000000, -0.0000012500000000, 0.0002103300000000 ] - [ 0.0000113000000000, -0.0000002300000000, 0.0002104400000000 ] - [ 0.0000485700000000, 0.0001505100000000, -0.0000592300000000 ] - [ 0.0000489800000000, -0.0001344700000000, -0.0003392400000000 ] - [ 0.0000486900000000, -0.0001352400000000, -0.0000802600000000 ] - [ 0.0000489000000000, 0.0001492300000000, -0.0003603500000000 ] - [ 0.0000019900000000, 0.0000016100000000, -0.0002578900000000 ] - [ 0.0000023500000000, -0.0000056400000000, -0.0001382500000000 ] - [ 0.0000021100000000, -0.0000055000000000, -0.0002805700000000 ] - [ 0.0000024100000000, 0.0000017200000000, -0.0001600700000000 ] - [ -0.0000254400000000, 0.0000002500000000, -0.0002085000000000 ] - [ 0.0000181600000000, 0.0000000900000000, -0.0002087100000000 ] - [ -0.0000130000000000, 0.0000003400000000, -0.0002087500000000 ] - [ 0.0000166000000000, 0.0000002200000000, -0.0002086500000000 ] - [ -0.0002602000000000, 0.0000002900000000, -0.0001837700000000 ] - [ 0.0000568500000000, -0.0000092400000000, -0.0002109900000000 ] - [ -0.0000148400000000, 0.0000096500000000, -0.0002104600000000 ] - [ 0.0000144500000000, 0.0000001700000000, -0.0002105400000000 ] - [ 0.0000167700000000, 0.0000199100000000, 0.0003221000000000 ] - [ 0.0000233300000000, -0.0000440800000000, 0.0000968700000000 ] - [ 0.0000234800000000, -0.0000445500000000, 0.0003235100000000 ] - [ 0.0000164900000000, 0.0000194400000000, 0.0000981800000000 ] - [ 0.0000230300000000, 0.0000194000000000, 0.0001023000000000 ] - [ 0.0000169300000000, -0.0000444900000000, 0.0003813300000000 ] - [ 0.0000163700000000, -0.0000441700000000, 0.0000369800000000 ] - [ 0.0000237000000000, 0.0000198900000000, 0.0003172100000000 ] - [ -0.0353841600000000, 0.0023194800000000, -0.0020411500000000 ] - [ -0.0347928500000000, 0.0023105800000000, 0.0000036600000000 ] - [ -0.0349596700000000, 0.0021885100000000, -0.0000265500000000 ] - [ -0.0348200100000000, 0.0022960600000000, 0.0000038900000000 ] - [ -0.0348757000000000, 0.0022389200000000, 0.0000027900000000 ] - [ -0.0348421200000000, 0.0022756600000000, -0.0000016600000000 ] - [ -0.0348761800000000, 0.0022388500000000, 0.0000002800000000 ] - [ -0.0348441800000000, 0.0022732400000000, -0.0000026600000000 ] - [ -0.0019569100000000, -0.0349486500000000, -0.0000757600000000 ] - [ -0.0026194700000000, -0.0347874300000000, 0.0031763200000000 ] - [ -0.0022033100000000, -0.0348851700000000, -0.0000061400000000 ] - [ -0.0023095200000000, -0.0348352900000000, -0.0000087500000000 ] - [ -0.0022296900000000, -0.0348717000000000, 0.0000048700000000 ] - [ -0.0022864200000000, -0.0348453700000000, -0.0000040300000000 ] - [ -0.0022295700000000, -0.0348736500000000, 0.0000043800000000 ] - [ -0.0022817800000000, -0.0348468200000000, -0.0000028000000000 ] - [ 0.0022039000000000, 0.0348830900000000, 0.0000084300000000 ] - [ 0.0023100800000000, 0.0348336000000000, 0.0000057100000000 ] - [ 0.0019014300000000, 0.0349161700000000, -0.0032216500000000 ] - [ 0.0025557500000000, 0.0347699700000000, 0.0000740300000000 ] - [ 0.0022315800000000, 0.0348720300000000, 0.0000031900000000 ] - [ 0.0022836800000000, 0.0348451000000000, -0.0000041100000000 ] - [ 0.0022270200000000, 0.0348731800000000, 0.0000045000000000 ] - [ 0.0022839000000000, 0.0348469300000000, -0.0000043900000000 ] - [ -0.0348332800000000, -0.0021624100000000, 0.0001016900000000 ] - [ -0.0344601700000000, -0.0026874400000000, -0.0007977400000000 ] - [ -0.0348060500000000, -0.0023365500000000, 0.0000069600000000 ] - [ -0.0348990600000000, -0.0022012400000000, -0.0000136700000000 ] - [ -0.0348499800000000, -0.0022514500000000, -0.0000170900000000 ] - [ -0.0348825000000000, -0.0022579900000000, 0.0000066600000000 ] - [ -0.0348471500000000, -0.0022736600000000, -0.0000248600000000 ] - [ -0.0348691100000000, -0.0022446700000000, 0.0000060800000000 ] - [ 0.0348189600000000, 0.0023134600000000, 0.0000139400000000 ] - [ 0.0349122700000000, 0.0021775300000000, -0.0000066400000000 ] - [ 0.0352614100000000, 0.0018211000000000, 0.0008074900000000 ] - [ 0.0348852300000000, 0.0023500900000000, -0.0001005000000000 ] - [ 0.0348496400000000, 0.0022681700000000, -0.0000058800000000 ] - [ 0.0348727200000000, 0.0022381400000000, 0.0000248700000000 ] - [ 0.0348338200000000, 0.0022584300000000, -0.0000054200000000 ] - [ 0.0348692600000000, 0.0022616600000000, 0.0000174300000000 ] - [ 0.0348986900000000, -0.0022171100000000, -0.0000042400000000 ] - [ 0.0347588200000000, -0.0023252000000000, 0.0000261100000000 ] - [ 0.0349253800000000, -0.0022030300000000, -0.0000042600000000 ] - [ 0.0343426300000000, -0.0021970000000000, 0.0020235200000000 ] - [ 0.0348744600000000, -0.0022401700000000, 0.0000029700000000 ] - [ 0.0348423300000000, -0.0022745000000000, 0.0000001300000000 ] - [ 0.0348764200000000, -0.0022378400000000, 0.0000019900000000 ] - [ 0.0348431300000000, -0.0022743200000000, -0.0000023000000000 ] - [ -0.0000383800000000, -0.0002108800000000, -0.0002653800000000 ] - [ -0.0001515500000000, 0.0002739500000000, 0.0001786700000000 ] - [ -0.0001518100000000, 0.0002774600000000, -0.0001792700000000 ] - [ -0.0000346000000000, -0.0002059800000000, 0.0002646300000000 ] - [ 0.0000106800000000, -0.0000078600000000, 0.0001398600000000 ] - [ 0.0000159200000000, -0.0000005700000000, -0.0002073400000000 ] - [ 0.0000190600000000, -0.0000050200000000, 0.0002083200000000 ] - [ 0.0000060500000000, -0.0000106100000000, -0.0001406500000000 ] - [ 0.0087793100000000, -0.0000652200000000, 0.0000569200000000 ] - [ -0.0006703900000000, 0.0001744100000000, 0.0000033000000000 ] - [ 0.0002452800000000, 0.0000822700000000, 0.0000014100000000 ] - [ -0.0001576400000000, -0.0000282400000000, 0.0000015200000000 ] - [ 0.0000673300000000, 0.0000065800000000, -0.0000024000000000 ] - [ -0.0000680300000000, -0.0000122400000000, -0.0000016700000000 ] - [ 0.0000644000000000, 0.0000108400000000, -0.0000014900000000 ] - [ -0.0000681400000000, -0.0000056300000000, -0.0000015700000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0000413400000000, -0.0016626600000000, 0.0008576800000000 ] - [ -0.0000072400000000, 0.0000353000000000, 0.0003533600000000 ] - [ 0.0000413400000000, 0.0016626600000000, 0.0008576800000000 ] - [ 0.0000072400000000, -0.0000353000000000, 0.0003533600000000 ] - [ -0.0000217500000000, 0.0000559000000000, -0.0003442400000000 ] - [ 0.0000048800000000, -0.0000075600000000, -0.0002590900000000 ] - [ 0.0000217500000000, -0.0000559000000000, -0.0003442400000000 ] - [ -0.0000048800000000, 0.0000075600000000, -0.0002590900000000 ] - [ -0.0001190100000000, -0.0000446800000000, -0.0003906100000000 ] - [ 0.0001190100000000, 0.0000446800000000, -0.0003906100000000 ] - [ 0.0000136400000000, 0.0000087400000000, -0.0002517200000000 ] - [ -0.0000136400000000, -0.0000087400000000, -0.0002517200000000 ] - [ 0.0010908000000000, 0.0000529300000000, -0.0000051400000000 ] - [ -0.0010908000000000, -0.0000529300000000, -0.0000051400000000 ] - [ 0.0000285300000000, 0.0000008300000000, 0.0001599700000000 ] - [ -0.0000285300000000, -0.0000008300000000, 0.0001599700000000 ] - [ 0.0000446800000000, -0.0001190100000000, -0.0003906100000000 ] - [ -0.0000087400000000, 0.0000136400000000, -0.0002517200000000 ] - [ -0.0000446800000000, 0.0001190100000000, -0.0003906100000000 ] - [ 0.0000087400000000, -0.0000136400000000, -0.0002517200000000 ] - [ -0.0000529300000000, 0.0010908000000000, -0.0000051400000000 ] - [ -0.0000008300000000, 0.0000285300000000, 0.0001599700000000 ] - [ 0.0000529300000000, -0.0010908000000000, -0.0000051400000000 ] - [ 0.0000008300000000, -0.0000285300000000, 0.0001599700000000 ] - [ -0.0016626600000000, 0.0000413400000000, 0.0008576800000000 ] - [ 0.0016626600000000, -0.0000413400000000, 0.0008576800000000 ] - [ 0.0000353000000000, 0.0000072400000000, 0.0003533600000000 ] - [ -0.0000353000000000, -0.0000072400000000, 0.0003533600000000 ] - [ 0.0000559000000000, 0.0000217500000000, -0.0003442400000000 ] - [ -0.0000559000000000, -0.0000217500000000, -0.0003442400000000 ] - [ -0.0000075600000000, -0.0000048800000000, -0.0002590900000000 ] - [ 0.0000075600000000, 0.0000048800000000, -0.0002590900000000 ] - [ -0.0005931400000000, 0.0364117900000000, 0.0011330300000000 ] - [ -0.0024322800000000, 0.0348519400000000, -0.0000204300000000 ] - [ -0.0022598100000000, 0.0347513400000000, 0.0000325300000000 ] - [ -0.0028383300000000, 0.0344756000000000, -0.0000288800000000 ] - [ -0.0029479000000000, 0.0343614300000000, 0.0002595000000000 ] - [ -0.0021371800000000, 0.0348703600000000, 0.0000375600000000 ] - [ -0.0022542200000000, 0.0349329900000000, 0.0000771500000000 ] - [ -0.0019045300000000, 0.0350911800000000, 0.0000485900000000 ] - [ 0.0028383300000000, -0.0344756000000000, -0.0000288800000000 ] - [ 0.0022598100000000, -0.0347513400000000, 0.0000325300000000 ] - [ 0.0024322800000000, -0.0348519400000000, -0.0000204300000000 ] - [ 0.0005931400000000, -0.0364117900000000, 0.0011330300000000 ] - [ 0.0019045300000000, -0.0350911800000000, 0.0000485900000000 ] - [ 0.0022542200000000, -0.0349329900000000, 0.0000771500000000 ] - [ 0.0021371800000000, -0.0348703600000000, 0.0000375600000000 ] - [ 0.0029479000000000, -0.0343614300000000, 0.0002595000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0599319900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003843800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003843800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003117100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009110100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006473800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006473800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006843400000000 ] - [ 0.0001280300000000, 0.0001491000000000, -0.0005864700000000 ] - [ -0.0001491000000000, 0.0001280300000000, -0.0005864700000000 ] - [ 0.0001491000000000, -0.0001280300000000, -0.0005864700000000 ] - [ -0.0001280300000000, -0.0001491000000000, -0.0005864700000000 ] - [ -0.0000707300000000, -0.0000483800000000, 0.0001313100000000 ] - [ 0.0000483800000000, -0.0000707300000000, 0.0001313100000000 ] - [ -0.0000483800000000, 0.0000707300000000, 0.0001313100000000 ] - [ 0.0000707300000000, 0.0000483800000000, 0.0001313100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005376500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002191200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002191200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002669700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0115268600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006569600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006569600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006640300000000 ] - [ 0.0001727700000000, 0.0001076100000000, 0.0003808300000000 ] - [ -0.0001076100000000, 0.0001727700000000, 0.0003808300000000 ] - [ 0.0001076100000000, -0.0001727700000000, 0.0003808300000000 ] - [ -0.0001727700000000, -0.0001076100000000, 0.0003808300000000 ] - [ -0.0001132200000000, -0.0001115700000000, 0.0003830700000000 ] - [ 0.0001115700000000, -0.0001132200000000, 0.0003830700000000 ] - [ -0.0001115700000000, 0.0001132200000000, 0.0003830700000000 ] - [ 0.0001132200000000, 0.0001115700000000, 0.0003830700000000 ] - [ -0.0361399100000000, 0.0000742300000000, -0.0006848600000000 ] - [ -0.0347656700000000, 0.0022674400000000, -0.0001254500000000 ] - [ -0.0348712200000000, 0.0022397500000000, -0.0002152300000000 ] - [ -0.0348527800000000, 0.0022661600000000, -0.0001194700000000 ] - [ -0.0348524500000000, 0.0022664200000000, 0.0001490200000000 ] - [ -0.0348597800000000, 0.0022597900000000, 0.0001087500000000 ] - [ -0.0348569100000000, 0.0022550900000000, 0.0001224800000000 ] - [ -0.0348593200000000, 0.0022583300000000, 0.0001130400000000 ] - [ -0.0022397500000000, -0.0348712200000000, -0.0002152300000000 ] - [ -0.0000742300000000, -0.0361399100000000, -0.0006848600000000 ] - [ -0.0022661600000000, -0.0348527800000000, -0.0001194700000000 ] - [ -0.0022674400000000, -0.0347656700000000, -0.0001254500000000 ] - [ -0.0022550900000000, -0.0348569100000000, 0.0001224800000000 ] - [ -0.0022664200000000, -0.0348524500000000, 0.0001490200000000 ] - [ -0.0022583300000000, -0.0348593200000000, 0.0001130400000000 ] - [ -0.0022597900000000, -0.0348597800000000, 0.0001087500000000 ] - [ 0.0022674400000000, 0.0347656700000000, -0.0001254500000000 ] - [ 0.0022661600000000, 0.0348527800000000, -0.0001194700000000 ] - [ 0.0000742300000000, 0.0361399100000000, -0.0006848600000000 ] - [ 0.0022397500000000, 0.0348712200000000, -0.0002152300000000 ] - [ 0.0022597900000000, 0.0348597800000000, 0.0001087500000000 ] - [ 0.0022583300000000, 0.0348593200000000, 0.0001130400000000 ] - [ 0.0022664200000000, 0.0348524500000000, 0.0001490200000000 ] - [ 0.0022550900000000, 0.0348569100000000, 0.0001224800000000 ] - [ -0.0347513400000000, -0.0022598100000000, 0.0000325300000000 ] - [ -0.0364117900000000, -0.0005931400000000, 0.0011330300000000 ] - [ -0.0344756000000000, -0.0028383300000000, -0.0000288800000000 ] - [ -0.0348519400000000, -0.0024322800000000, -0.0000204300000000 ] - [ -0.0349329900000000, -0.0022542200000000, 0.0000771500000000 ] - [ -0.0343614300000000, -0.0029479000000000, 0.0002595000000000 ] - [ -0.0350911800000000, -0.0019045300000000, 0.0000485900000000 ] - [ -0.0348703600000000, -0.0021371800000000, 0.0000375600000000 ] - [ 0.0348519400000000, 0.0024322800000000, -0.0000204300000000 ] - [ 0.0344756000000000, 0.0028383300000000, -0.0000288800000000 ] - [ 0.0364117900000000, 0.0005931400000000, 0.0011330300000000 ] - [ 0.0347513400000000, 0.0022598100000000, 0.0000325300000000 ] - [ 0.0348703600000000, 0.0021371800000000, 0.0000375600000000 ] - [ 0.0350911800000000, 0.0019045300000000, 0.0000485900000000 ] - [ 0.0343614300000000, 0.0029479000000000, 0.0002595000000000 ] - [ 0.0349329900000000, 0.0022542200000000, 0.0000771500000000 ] - [ 0.0348527800000000, -0.0022661600000000, -0.0001194700000000 ] - [ 0.0348712200000000, -0.0022397500000000, -0.0002152300000000 ] - [ 0.0347656700000000, -0.0022674400000000, -0.0001254500000000 ] - [ 0.0361399100000000, -0.0000742300000000, -0.0006848600000000 ] - [ 0.0348593200000000, -0.0022583300000000, 0.0001130400000000 ] - [ 0.0348569100000000, -0.0022550900000000, 0.0001224800000000 ] - [ 0.0348597800000000, -0.0022597900000000, 0.0001087500000000 ] - [ 0.0348524500000000, -0.0022664200000000, 0.0001490200000000 ] - [ -0.0017844500000000, -0.0011617600000000, 0.0005121400000000 ] - [ 0.0011617600000000, -0.0017844500000000, 0.0005121400000000 ] - [ -0.0011617600000000, 0.0017844500000000, 0.0005121400000000 ] - [ 0.0017844500000000, 0.0011617600000000, 0.0005121400000000 ] - [ 0.0009356200000000, 0.0006309900000000, -0.0003717700000000 ] - [ -0.0006309900000000, 0.0009356200000000, -0.0003717700000000 ] - [ 0.0006309900000000, -0.0009356200000000, -0.0003717700000000 ] - [ -0.0009356200000000, -0.0006309900000000, -0.0003717700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0424799600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009901500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009901500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008766600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013811400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007978200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007978200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008562000000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000410200000000, 0.0016841600000000, -0.0008519400000000 ] - [ 0.0000072200000000, -0.0000344800000000, -0.0003534900000000 ] - [ -0.0000410200000000, -0.0016841600000000, -0.0008519400000000 ] - [ -0.0000072200000000, 0.0000344800000000, -0.0003534900000000 ] - [ 0.0000219700000000, -0.0000565800000000, 0.0003457100000000 ] - [ -0.0000049800000000, 0.0000077500000000, 0.0002598200000000 ] - [ -0.0000219700000000, 0.0000565800000000, 0.0003457100000000 ] - [ 0.0000049800000000, -0.0000077500000000, 0.0002598200000000 ] - [ 0.0001193300000000, 0.0000445900000000, 0.0003919400000000 ] - [ -0.0001193300000000, -0.0000445900000000, 0.0003919400000000 ] - [ -0.0000132800000000, -0.0000087100000000, 0.0002523000000000 ] - [ 0.0000132800000000, 0.0000087100000000, 0.0002523000000000 ] - [ -0.0011003100000000, -0.0000529600000000, -0.0000006300000000 ] - [ 0.0011003100000000, 0.0000529600000000, -0.0000006300000000 ] - [ -0.0000280200000000, -0.0000008500000000, -0.0001628200000000 ] - [ 0.0000280200000000, 0.0000008500000000, -0.0001628200000000 ] - [ -0.0000445900000000, 0.0001193300000000, 0.0003919400000000 ] - [ 0.0000087100000000, -0.0000132800000000, 0.0002523000000000 ] - [ 0.0000445900000000, -0.0001193300000000, 0.0003919400000000 ] - [ -0.0000087100000000, 0.0000132800000000, 0.0002523000000000 ] - [ 0.0000529600000000, -0.0011003100000000, -0.0000006300000000 ] - [ 0.0000008500000000, -0.0000280200000000, -0.0001628200000000 ] - [ -0.0000529600000000, 0.0011003100000000, -0.0000006300000000 ] - [ -0.0000008500000000, 0.0000280200000000, -0.0001628200000000 ] - [ 0.0016841600000000, -0.0000410200000000, -0.0008519400000000 ] - [ -0.0016841600000000, 0.0000410200000000, -0.0008519400000000 ] - [ -0.0000344800000000, -0.0000072200000000, -0.0003534900000000 ] - [ 0.0000344800000000, 0.0000072200000000, -0.0003534900000000 ] - [ -0.0000565800000000, -0.0000219700000000, 0.0003457100000000 ] - [ 0.0000565800000000, 0.0000219700000000, 0.0003457100000000 ] - [ 0.0000077500000000, 0.0000049800000000, 0.0002598200000000 ] - [ -0.0000077500000000, -0.0000049800000000, 0.0002598200000000 ] - [ -0.0039068800000000, 0.0333229600000000, -0.0011259700000000 ] - [ -0.0020828300000000, 0.0348654800000000, 0.0000190300000000 ] - [ -0.0022575300000000, 0.0349665700000000, -0.0000345500000000 ] - [ -0.0016791200000000, 0.0352394400000000, 0.0000277900000000 ] - [ -0.0015607000000000, 0.0353596200000000, -0.0002596500000000 ] - [ -0.0023791700000000, 0.0348470200000000, -0.0000376700000000 ] - [ -0.0022611800000000, 0.0347837500000000, -0.0000775100000000 ] - [ -0.0026145400000000, 0.0346237800000000, -0.0000488800000000 ] - [ 0.0016791200000000, -0.0352394400000000, 0.0000277900000000 ] - [ 0.0022575300000000, -0.0349665700000000, -0.0000345500000000 ] - [ 0.0020828300000000, -0.0348654800000000, 0.0000190300000000 ] - [ 0.0039068800000000, -0.0333229600000000, -0.0011259700000000 ] - [ 0.0026145400000000, -0.0346237800000000, -0.0000488800000000 ] - [ 0.0022611800000000, -0.0347837500000000, -0.0000775100000000 ] - [ 0.0023791700000000, -0.0348470200000000, -0.0000376700000000 ] - [ 0.0015607000000000, -0.0353596200000000, -0.0002596500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0625050600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008096200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008096200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007353300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004927300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002274500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002274500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002641600000000 ] - [ -0.0001306400000000, -0.0001516400000000, 0.0001573000000000 ] - [ 0.0001516400000000, -0.0001306400000000, 0.0001573000000000 ] - [ -0.0001516400000000, 0.0001306400000000, 0.0001573000000000 ] - [ 0.0001306400000000, 0.0001516400000000, 0.0001573000000000 ] - [ 0.0000715200000000, 0.0000488900000000, -0.0005546700000000 ] - [ -0.0000488900000000, 0.0000715200000000, -0.0005546700000000 ] - [ 0.0000488900000000, -0.0000715200000000, -0.0005546700000000 ] - [ -0.0000715200000000, -0.0000488900000000, -0.0005546700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009647800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006442300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006442300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006914300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0121698400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002383800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002383800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002437700000000 ] - [ -0.0001717200000000, -0.0001073000000000, 0.0000387700000000 ] - [ 0.0001073000000000, -0.0001717200000000, 0.0000387700000000 ] - [ -0.0001073000000000, 0.0001717200000000, 0.0000387700000000 ] - [ 0.0001717200000000, 0.0001073000000000, 0.0000387700000000 ] - [ 0.0001138700000000, 0.0001122400000000, 0.0000410700000000 ] - [ -0.0001122400000000, 0.0001138700000000, 0.0000410700000000 ] - [ 0.0001122400000000, -0.0001138700000000, 0.0000410700000000 ] - [ -0.0001138700000000, -0.0001122400000000, 0.0000410700000000 ] - [ -0.0335639600000000, 0.0044617500000000, 0.0006852300000000 ] - [ -0.0349513500000000, 0.0022472300000000, 0.0001262500000000 ] - [ -0.0348462000000000, 0.0022769500000000, 0.0002169300000000 ] - [ -0.0348644200000000, 0.0022493400000000, 0.0001198200000000 ] - [ -0.0348648400000000, 0.0022490100000000, -0.0001504200000000 ] - [ -0.0348576100000000, 0.0022555900000000, -0.0001098900000000 ] - [ -0.0348604400000000, 0.0022602300000000, -0.0001236800000000 ] - [ -0.0348580200000000, 0.0022570300000000, -0.0001141200000000 ] - [ -0.0022769500000000, -0.0348462000000000, 0.0002169300000000 ] - [ -0.0044617500000000, -0.0335639600000000, 0.0006852300000000 ] - [ -0.0022493400000000, -0.0348644200000000, 0.0001198200000000 ] - [ -0.0022472300000000, -0.0349513500000000, 0.0001262500000000 ] - [ -0.0022602300000000, -0.0348604400000000, -0.0001236800000000 ] - [ -0.0022490100000000, -0.0348648400000000, -0.0001504200000000 ] - [ -0.0022570300000000, -0.0348580200000000, -0.0001141200000000 ] - [ -0.0022555900000000, -0.0348576100000000, -0.0001098900000000 ] - [ 0.0022472300000000, 0.0349513500000000, 0.0001262500000000 ] - [ 0.0022493400000000, 0.0348644200000000, 0.0001198200000000 ] - [ 0.0044617500000000, 0.0335639600000000, 0.0006852300000000 ] - [ 0.0022769500000000, 0.0348462000000000, 0.0002169300000000 ] - [ 0.0022555900000000, 0.0348576100000000, -0.0001098900000000 ] - [ 0.0022570300000000, 0.0348580200000000, -0.0001141200000000 ] - [ 0.0022490100000000, 0.0348648400000000, -0.0001504200000000 ] - [ 0.0022602300000000, 0.0348604400000000, -0.0001236800000000 ] - [ -0.0349665700000000, -0.0022575300000000, -0.0000345500000000 ] - [ -0.0333229600000000, -0.0039068800000000, -0.0011259700000000 ] - [ -0.0352394400000000, -0.0016791200000000, 0.0000277900000000 ] - [ -0.0348654800000000, -0.0020828300000000, 0.0000190300000000 ] - [ -0.0347837500000000, -0.0022611800000000, -0.0000775100000000 ] - [ -0.0353596200000000, -0.0015607000000000, -0.0002596500000000 ] - [ -0.0346237800000000, -0.0026145400000000, -0.0000488800000000 ] - [ -0.0348470200000000, -0.0023791700000000, -0.0000376700000000 ] - [ 0.0348654800000000, 0.0020828300000000, 0.0000190300000000 ] - [ 0.0352394400000000, 0.0016791200000000, 0.0000277900000000 ] - [ 0.0333229600000000, 0.0039068800000000, -0.0011259700000000 ] - [ 0.0349665700000000, 0.0022575300000000, -0.0000345500000000 ] - [ 0.0348470200000000, 0.0023791700000000, -0.0000376700000000 ] - [ 0.0346237800000000, 0.0026145400000000, -0.0000488800000000 ] - [ 0.0353596200000000, 0.0015607000000000, -0.0002596500000000 ] - [ 0.0347837500000000, 0.0022611800000000, -0.0000775100000000 ] - [ 0.0348644200000000, -0.0022493400000000, 0.0001198200000000 ] - [ 0.0348462000000000, -0.0022769500000000, 0.0002169300000000 ] - [ 0.0349513500000000, -0.0022472300000000, 0.0001262500000000 ] - [ 0.0335639600000000, -0.0044617500000000, 0.0006852300000000 ] - [ 0.0348580200000000, -0.0022570300000000, -0.0001141200000000 ] - [ 0.0348604400000000, -0.0022602300000000, -0.0001236800000000 ] - [ 0.0348576100000000, -0.0022555900000000, -0.0001098900000000 ] - [ 0.0348648400000000, -0.0022490100000000, -0.0001504200000000 ] - [ 0.0017803900000000, 0.0011639600000000, -0.0004973500000000 ] - [ -0.0011639600000000, 0.0017803900000000, -0.0004973500000000 ] - [ 0.0011639600000000, -0.0017803900000000, -0.0004973500000000 ] - [ -0.0017803900000000, -0.0011639600000000, -0.0004973500000000 ] - [ -0.0009459300000000, -0.0006375000000000, 0.0003680600000000 ] - [ 0.0006375000000000, -0.0009459300000000, 0.0003680600000000 ] - [ -0.0006375000000000, 0.0009459300000000, 0.0003680600000000 ] - [ 0.0009459300000000, 0.0006375000000000, 0.0003680600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0444150100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009976600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009976600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008807800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013884200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008013900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008013900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008589100000000 ]- atom: 129 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0020741800000000, -0.0008270500000000, 0.0036574900000000 ] - [ 0.0020856400000000, -0.0008297800000000, -0.0036792600000000 ] - [ 0.0000445700000000, 0.0000137200000000, 0.0000462600000000 ] - [ 0.0000448800000000, 0.0000147400000000, -0.0000467900000000 ] - [ -0.0000045400000000, -0.0000192200000000, -0.0001174000000000 ] - [ -0.0000049300000000, -0.0000193500000000, 0.0001174400000000 ] - [ -0.0000073400000000, 0.0000283700000000, -0.0001050100000000 ] - [ -0.0000073400000000, 0.0000286000000000, 0.0001051700000000 ] - [ -0.0022332100000000, -0.0000204900000000, 0.0008889500000000 ] - [ 0.0006186400000000, 0.0000449000000000, -0.0000833200000000 ] - [ -0.0022362500000000, -0.0000250300000000, -0.0008841500000000 ] - [ 0.0006187200000000, 0.0000455000000000, 0.0000837400000000 ] - [ -0.0002157700000000, -0.0000143200000000, 0.0000107800000000 ] - [ 0.0002301000000000, 0.0000162300000000, 0.0000070600000000 ] - [ -0.0002159500000000, -0.0000145200000000, -0.0000108300000000 ] - [ 0.0002302400000000, 0.0000163800000000, -0.0000072500000000 ] - [ 0.0020741800000000, -0.0008270500000000, -0.0036574900000000 ] - [ 0.0020856400000000, -0.0008297800000000, 0.0036792600000000 ] - [ 0.0000445700000000, 0.0000137200000000, -0.0000462600000000 ] - [ 0.0000448800000000, 0.0000147400000000, 0.0000467900000000 ] - [ -0.0000045400000000, -0.0000192200000000, 0.0001174000000000 ] - [ -0.0000049300000000, -0.0000193500000000, -0.0001174400000000 ] - [ -0.0000073400000000, 0.0000283700000000, 0.0001050100000000 ] - [ -0.0000073400000000, 0.0000286000000000, -0.0001051700000000 ] - [ -0.0022332100000000, -0.0000204900000000, -0.0008889500000000 ] - [ 0.0006186400000000, 0.0000449000000000, 0.0000833200000000 ] - [ -0.0022362500000000, -0.0000250300000000, 0.0008841500000000 ] - [ 0.0006187200000000, 0.0000455000000000, -0.0000837400000000 ] - [ -0.0002157700000000, -0.0000143200000000, -0.0000107800000000 ] - [ 0.0002301000000000, 0.0000162300000000, -0.0000070600000000 ] - [ -0.0002159500000000, -0.0000145200000000, 0.0000108300000000 ] - [ 0.0002302400000000, 0.0000163800000000, 0.0000072500000000 ] - [ 0.0287194000000000, 0.0503852600000000, 0.0000000000000000 ] - [ -0.0057239000000000, 0.0339470900000000, 0.0000000000000000 ] - [ -0.0009539900000000, 0.0370088600000000, 0.0000000000000000 ] - [ -0.0028843100000000, 0.0346446100000000, 0.0000000000000000 ] - [ -0.0020644500000000, 0.0349657400000000, 0.0000000000000000 ] - [ -0.0024105700000000, 0.0347861700000000, 0.0000000000000000 ] - [ -0.0021030700000000, 0.0349315800000000, 0.0000000000000000 ] - [ -0.0024501200000000, 0.0347534400000000, 0.0000000000000000 ] - [ 0.0343747800000000, -0.0184917200000000, 0.0000000000000000 ] - [ -0.0011806800000000, -0.0357726800000000, 0.0000000000000000 ] - [ 0.0035558900000000, -0.0327069800000000, 0.0000000000000000 ] - [ 0.0016302200000000, -0.0350726800000000, 0.0000000000000000 ] - [ 0.0024503100000000, -0.0347518600000000, 0.0000000000000000 ] - [ 0.0021034800000000, -0.0349318200000000, 0.0000000000000000 ] - [ 0.0024108600000000, -0.0347863100000000, 0.0000000000000000 ] - [ 0.0020642300000000, -0.0349641300000000, 0.0000000000000000 ] - [ -0.0000330300000000, -0.0002715800000000, -0.0015666800000000 ] - [ -0.0001523200000000, 0.0002101300000000, 0.0013741500000000 ] - [ -0.0001498600000000, 0.0002076600000000, -0.0009522900000000 ] - [ -0.0000385600000000, -0.0002802200000000, 0.0019992100000000 ] - [ 0.0000083700000000, 0.0000032300000000, 0.0011513900000000 ] - [ 0.0000177800000000, 0.0000087600000000, -0.0004239500000000 ] - [ 0.0000174100000000, 0.0000088000000000, 0.0008451400000000 ] - [ 0.0000085500000000, 0.0000033900000000, -0.0007309400000000 ] - [ 0.0087786500000000, -0.0000654000000000, -0.0001767700000000 ] - [ -0.0006697800000000, 0.0000823200000000, -0.0002102300000000 ] - [ 0.0002461200000000, 0.0001743100000000, -0.0002095200000000 ] - [ -0.0001579000000000, -0.0000280600000000, -0.0002098800000000 ] - [ 0.0000679900000000, 0.0000067300000000, -0.0002100000000000 ] - [ -0.0000676500000000, 0.0000105400000000, -0.0002100100000000 ] - [ 0.0000639900000000, -0.0000122200000000, -0.0002101000000000 ] - [ -0.0000680600000000, -0.0000057000000000, -0.0002097800000000 ] - [ -0.0000330300000000, -0.0002715800000000, 0.0015666800000000 ] - [ -0.0001523200000000, 0.0002101300000000, -0.0013741500000000 ] - [ -0.0001498600000000, 0.0002076600000000, 0.0009522900000000 ] - [ -0.0000385600000000, -0.0002802200000000, -0.0019992100000000 ] - [ 0.0000083700000000, 0.0000032300000000, -0.0011513900000000 ] - [ 0.0000177800000000, 0.0000087600000000, 0.0004239500000000 ] - [ 0.0000174100000000, 0.0000088000000000, -0.0008451400000000 ] - [ 0.0000085500000000, 0.0000033900000000, 0.0007309400000000 ] - [ 0.0087786500000000, -0.0000654000000000, 0.0001767700000000 ] - [ -0.0006697800000000, 0.0000823200000000, 0.0002102300000000 ] - [ 0.0002461200000000, 0.0001743100000000, 0.0002095200000000 ] - [ -0.0001579000000000, -0.0000280600000000, 0.0002098800000000 ] - [ 0.0000679900000000, 0.0000067300000000, 0.0002100000000000 ] - [ -0.0000676500000000, 0.0000105400000000, 0.0002100100000000 ] - [ 0.0000639900000000, -0.0000122200000000, 0.0002101000000000 ] - [ -0.0000680600000000, -0.0000057000000000, 0.0002097800000000 ] - [ -0.0344606900000000, 0.0025146000000000, -0.0000722800000000 ] - [ -0.0349633900000000, 0.0023682400000000, 0.0002391700000000 ] - [ -0.0347307400000000, 0.0023810000000000, -0.0000895700000000 ] - [ -0.0349488200000000, 0.0021373400000000, 0.0002125000000000 ] - [ -0.0344606900000000, 0.0025146000000000, 0.0000722800000000 ] - [ -0.0349633900000000, 0.0023682400000000, -0.0002391700000000 ] - [ -0.0347307400000000, 0.0023810000000000, 0.0000895700000000 ] - [ -0.0349488200000000, 0.0021373400000000, -0.0002125000000000 ] - [ -0.0019978100000000, -0.0350504600000000, 0.0000126500000000 ] - [ -0.0023976300000000, -0.0348332500000000, -0.0001078600000000 ] - [ -0.0020202600000000, -0.0349270400000000, 0.0000116100000000 ] - [ -0.0024077800000000, -0.0348158600000000, -0.0001180800000000 ] - [ -0.0019978100000000, -0.0350504600000000, -0.0000126500000000 ] - [ -0.0023976300000000, -0.0348332500000000, 0.0001078600000000 ] - [ -0.0020202600000000, -0.0349270400000000, -0.0000116100000000 ] - [ -0.0024077800000000, -0.0348158600000000, 0.0001180800000000 ] - [ 0.0025137300000000, 0.0346683100000000, -0.0000116800000000 ] - [ 0.0021170300000000, 0.0348842200000000, 0.0001084400000000 ] - [ 0.0024938100000000, 0.0347907100000000, -0.0000110500000000 ] - [ 0.0021081000000000, 0.0349010500000000, 0.0001180700000000 ] - [ 0.0025137300000000, 0.0346683100000000, 0.0000116800000000 ] - [ 0.0021170300000000, 0.0348842200000000, -0.0001084400000000 ] - [ 0.0024938100000000, 0.0347907100000000, 0.0000110500000000 ] - [ 0.0021081000000000, 0.0349010500000000, -0.0001180700000000 ] - [ -0.0165619500000000, -0.0187084700000000, 0.0000000000000000 ] - [ -0.0372828700000000, -0.0004698400000000, 0.0000000000000000 ] - [ -0.0326840500000000, -0.0032117300000000, 0.0000000000000000 ] - [ -0.0352153100000000, -0.0019925400000000, 0.0000000000000000 ] - [ -0.0347637800000000, -0.0023541300000000, 0.0000000000000000 ] - [ -0.0349809600000000, -0.0021056100000000, 0.0000000000000000 ] - [ -0.0347357800000000, -0.0024094400000000, 0.0000000000000000 ] - [ -0.0349525800000000, -0.0021604800000000, 0.0000000000000000 ] - [ 0.0529111500000000, -0.0137007300000000, 0.0000000000000000 ] - [ 0.0324433600000000, 0.0040399300000000, 0.0000000000000000 ] - [ 0.0370275500000000, 0.0013399700000000, 0.0000000000000000 ] - [ 0.0345019600000000, 0.0025214900000000, 0.0000000000000000 ] - [ 0.0349539000000000, 0.0021599400000000, 0.0000000000000000 ] - [ 0.0347369000000000, 0.0024082000000000, 0.0000000000000000 ] - [ 0.0349822100000000, 0.0021045700000000, 0.0000000000000000 ] - [ 0.0347653600000000, 0.0023535700000000, 0.0000000000000000 ] - [ 0.0352580000000000, -0.0019984500000000, 0.0000749500000000 ] - [ 0.0347539700000000, -0.0021475500000000, -0.0002379700000000 ] - [ 0.0349870700000000, -0.0021333100000000, 0.0000900300000000 ] - [ 0.0347683500000000, -0.0023778100000000, -0.0002120700000000 ] - [ 0.0352580000000000, -0.0019984500000000, -0.0000749500000000 ] - [ 0.0347539700000000, -0.0021475500000000, 0.0002379700000000 ] - [ 0.0349870700000000, -0.0021333100000000, -0.0000900300000000 ] - [ 0.0347683500000000, -0.0023778100000000, 0.0002120700000000 ] - [ -0.1141231600000000, -0.0000063900000000, 0.0000000000000000 ] - [ 0.0087186500000000, -0.0007273200000000, 0.0000000000000000 ] - [ -0.0062532600000000, 0.0007270900000000, 0.0000000000000000 ] - [ 0.0016652700000000, 0.0000004100000000, 0.0000000000000000 ] - [ -0.0004433500000000, 0.0000001100000000, 0.0000000000000000 ] - [ 0.0004174000000000, -0.0001415800000000, 0.0000000000000000 ] - [ -0.0004258200000000, 0.0001417200000000, 0.0000000000000000 ] - [ 0.0004421100000000, 0.0000000500000000, 0.0000000000000000 ] - [ -0.0003258500000000, -0.0002912700000000, 0.0026460000000000 ] - [ -0.0003286700000000, -0.0000724700000000, -0.0018269700000000 ] - [ -0.0003245900000000, -0.0000730300000000, 0.0018261300000000 ] - [ -0.0003277200000000, -0.0002929900000000, -0.0026530000000000 ] - [ -0.0003258500000000, -0.0002912700000000, -0.0026460000000000 ] - [ -0.0003286700000000, -0.0000724700000000, 0.0018269700000000 ] - [ -0.0003245900000000, -0.0000730300000000, -0.0018261300000000 ] - [ -0.0003277200000000, -0.0002929900000000, 0.0026530000000000 ]- atom: 129 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0037341500000000, 0.0001493200000000, -0.0004802200000000 ] - [ -0.0037341500000000, -0.0001493200000000, -0.0004802200000000 ] - [ 0.0000024700000000, 0.0000026100000000, -0.0004643800000000 ] - [ -0.0000024700000000, -0.0000026100000000, -0.0004643800000000 ] - [ -0.0001750000000000, 0.0000572200000000, 0.0006946800000000 ] - [ 0.0001750000000000, -0.0000572200000000, 0.0006946800000000 ] - [ 0.0000146300000000, -0.0000128200000000, 0.0004691100000000 ] - [ -0.0000146300000000, 0.0000128200000000, 0.0004691100000000 ] - [ 0.0001491900000000, -0.0037550700000000, -0.0004852600000000 ] - [ 0.0000027000000000, -0.0000019300000000, -0.0004662700000000 ] - [ -0.0001491900000000, 0.0037550700000000, -0.0004852600000000 ] - [ -0.0000027000000000, 0.0000019300000000, -0.0004662700000000 ] - [ 0.0000570600000000, 0.0001742100000000, 0.0006940400000000 ] - [ -0.0000127900000000, -0.0000147400000000, 0.0004691800000000 ] - [ -0.0000570600000000, -0.0001742100000000, 0.0006940400000000 ] - [ 0.0000127900000000, 0.0000147400000000, 0.0004691800000000 ] - [ -0.0037550700000000, -0.0001491900000000, -0.0004852600000000 ] - [ 0.0037550700000000, 0.0001491900000000, -0.0004852600000000 ] - [ -0.0000019300000000, -0.0000027000000000, -0.0004662700000000 ] - [ 0.0000019300000000, 0.0000027000000000, -0.0004662700000000 ] - [ 0.0001742100000000, -0.0000570600000000, 0.0006940400000000 ] - [ -0.0001742100000000, 0.0000570600000000, 0.0006940400000000 ] - [ -0.0000147400000000, 0.0000127900000000, 0.0004691800000000 ] - [ 0.0000147400000000, -0.0000127900000000, 0.0004691800000000 ] - [ -0.0001493200000000, 0.0037341500000000, -0.0004802200000000 ] - [ -0.0000026100000000, 0.0000024700000000, -0.0004643800000000 ] - [ 0.0001493200000000, -0.0037341500000000, -0.0004802200000000 ] - [ 0.0000026100000000, -0.0000024700000000, -0.0004643800000000 ] - [ -0.0000572200000000, -0.0001750000000000, 0.0006946800000000 ] - [ 0.0000128200000000, 0.0000146300000000, 0.0004691100000000 ] - [ 0.0000572200000000, 0.0001750000000000, 0.0006946800000000 ] - [ -0.0000128200000000, -0.0000146300000000, 0.0004691100000000 ] - [ -0.0022263600000000, 0.0348769600000000, 0.0092639300000000 ] - [ -0.0022584500000000, 0.0348584400000000, 0.0004672400000000 ] - [ -0.0022576400000000, 0.0348592500000000, 0.0001668600000000 ] - [ -0.0022578300000000, 0.0348586200000000, 0.0002181500000000 ] - [ -0.0022577800000000, 0.0348586900000000, -0.0002784300000000 ] - [ -0.0022578400000000, 0.0348586800000000, -0.0002265500000000 ] - [ -0.0022577800000000, 0.0348586300000000, -0.0001996800000000 ] - [ -0.0022578300000000, 0.0348586400000000, -0.0002069500000000 ] - [ 0.0022263600000000, -0.0348769600000000, 0.0092639300000000 ] - [ 0.0022584500000000, -0.0348584400000000, 0.0004672400000000 ] - [ 0.0022576400000000, -0.0348592500000000, 0.0001668600000000 ] - [ 0.0022578300000000, -0.0348586200000000, 0.0002181500000000 ] - [ 0.0022577800000000, -0.0348586900000000, -0.0002784300000000 ] - [ 0.0022578400000000, -0.0348586800000000, -0.0002265500000000 ] - [ 0.0022577800000000, -0.0348586300000000, -0.0001996800000000 ] - [ 0.0022578300000000, -0.0348586400000000, -0.0002069500000000 ] - [ -0.0002635500000000, -0.0001774700000000, 0.0007172400000000 ] - [ 0.0001774700000000, -0.0002635500000000, 0.0007172400000000 ] - [ -0.0001774700000000, 0.0002635500000000, 0.0007172400000000 ] - [ 0.0002635500000000, 0.0001774700000000, 0.0007172400000000 ] - [ 0.0001404000000000, 0.0002082400000000, -0.0001568700000000 ] - [ -0.0002082400000000, 0.0001404000000000, -0.0001568700000000 ] - [ 0.0002082400000000, -0.0001404000000000, -0.0001568700000000 ] - [ -0.0001404000000000, -0.0002082400000000, -0.0001568700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0422144300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007809400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007809400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006652400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015963000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010116500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010116500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010707700000000 ] - [ 0.0002664000000000, 0.0001810200000000, 0.0002935700000000 ] - [ -0.0001810200000000, 0.0002664000000000, 0.0002935700000000 ] - [ 0.0001810200000000, -0.0002664000000000, 0.0002935700000000 ] - [ -0.0002664000000000, -0.0001810200000000, 0.0002935700000000 ] - [ -0.0001401600000000, -0.0002080900000000, -0.0005824400000000 ] - [ 0.0002080900000000, -0.0001401600000000, -0.0005824400000000 ] - [ -0.0002080900000000, 0.0001401600000000, -0.0005824400000000 ] - [ 0.0001401600000000, 0.0002080900000000, -0.0005824400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0446755200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012069000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012069000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010899800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011713700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005876300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005876300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006467100000000 ] - [ -0.0361477800000000, 0.0004627200000000, -0.0006566500000000 ] - [ -0.0346804700000000, 0.0022090800000000, -0.0001302400000000 ] - [ -0.0348475600000000, 0.0025385400000000, -0.0000289500000000 ] - [ -0.0343208400000000, 0.0031214400000000, -0.0000058400000000 ] - [ -0.0335618900000000, 0.0040582300000000, -0.0006674500000000 ] - [ -0.0350371800000000, 0.0023075500000000, -0.0001303500000000 ] - [ -0.0348697200000000, 0.0019767300000000, -0.0000288300000000 ] - [ -0.0353962400000000, 0.0013934500000000, -0.0000054300000000 ] - [ -0.0004627200000000, -0.0361477800000000, -0.0006566500000000 ] - [ -0.0025385400000000, -0.0348475600000000, -0.0000289500000000 ] - [ -0.0022090800000000, -0.0346804700000000, -0.0001302400000000 ] - [ -0.0031214400000000, -0.0343208400000000, -0.0000058400000000 ] - [ -0.0040582300000000, -0.0335618900000000, -0.0006674500000000 ] - [ -0.0019767300000000, -0.0348697200000000, -0.0000288300000000 ] - [ -0.0023075500000000, -0.0350371800000000, -0.0001303500000000 ] - [ -0.0013934500000000, -0.0353962400000000, -0.0000054300000000 ] - [ 0.0004627200000000, 0.0361477800000000, -0.0006566500000000 ] - [ 0.0025385400000000, 0.0348475600000000, -0.0000289500000000 ] - [ 0.0022090800000000, 0.0346804700000000, -0.0001302400000000 ] - [ 0.0031214400000000, 0.0343208400000000, -0.0000058400000000 ] - [ 0.0040582300000000, 0.0335618900000000, -0.0006674500000000 ] - [ 0.0019767300000000, 0.0348697200000000, -0.0000288300000000 ] - [ 0.0023075500000000, 0.0350371800000000, -0.0001303500000000 ] - [ 0.0013934500000000, 0.0353962400000000, -0.0000054300000000 ] - [ -0.0348769600000000, -0.0022263600000000, 0.0092639300000000 ] - [ -0.0348592500000000, -0.0022576400000000, 0.0001668600000000 ] - [ -0.0348584400000000, -0.0022584500000000, 0.0004672400000000 ] - [ -0.0348586200000000, -0.0022578300000000, 0.0002181500000000 ] - [ -0.0348586900000000, -0.0022577800000000, -0.0002784300000000 ] - [ -0.0348586300000000, -0.0022577800000000, -0.0001996800000000 ] - [ -0.0348586800000000, -0.0022578400000000, -0.0002265500000000 ] - [ -0.0348586400000000, -0.0022578300000000, -0.0002069500000000 ] - [ 0.0348769600000000, 0.0022263600000000, 0.0092639300000000 ] - [ 0.0348592500000000, 0.0022576400000000, 0.0001668600000000 ] - [ 0.0348584400000000, 0.0022584500000000, 0.0004672400000000 ] - [ 0.0348586200000000, 0.0022578300000000, 0.0002181500000000 ] - [ 0.0348586900000000, 0.0022577800000000, -0.0002784300000000 ] - [ 0.0348586300000000, 0.0022577800000000, -0.0001996800000000 ] - [ 0.0348586800000000, 0.0022578400000000, -0.0002265500000000 ] - [ 0.0348586400000000, 0.0022578300000000, -0.0002069500000000 ] - [ 0.0361477800000000, -0.0004627200000000, -0.0006566500000000 ] - [ 0.0346804700000000, -0.0022090800000000, -0.0001302400000000 ] - [ 0.0348475600000000, -0.0025385400000000, -0.0000289500000000 ] - [ 0.0343208400000000, -0.0031214400000000, -0.0000058400000000 ] - [ 0.0335618900000000, -0.0040582300000000, -0.0006674500000000 ] - [ 0.0350371800000000, -0.0023075500000000, -0.0001303500000000 ] - [ 0.0348697200000000, -0.0019767300000000, -0.0000288300000000 ] - [ 0.0353962400000000, -0.0013934500000000, -0.0000054300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.1181770900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0019714000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0019714000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015879000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0026662000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014785700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014785700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015562200000000 ] - [ 0.0018234300000000, 0.0026463100000000, -0.0001767500000000 ] - [ -0.0026463100000000, 0.0018234300000000, -0.0001767500000000 ] - [ 0.0026463100000000, -0.0018234300000000, -0.0001767500000000 ] - [ -0.0018234300000000, -0.0026463100000000, -0.0001767500000000 ] - [ -0.0018286600000000, -0.0026513600000000, -0.0001787000000000 ] - [ 0.0026513600000000, -0.0018286600000000, -0.0001787000000000 ] - [ -0.0026513600000000, 0.0018286600000000, -0.0001787000000000 ] - [ 0.0018286600000000, 0.0026513600000000, -0.0001787000000000 ]